Nsc 127755

3-chloro-4-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid

Also Known As: Dihydrotriazine derivative|DTBSF|3-chloro-4-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid|Benzenesulfonyl fluoride, 3-chloro-4-(4-(2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)butyl)-, monoethanesulfonate|Ethanesulfonic acid, compd. with 3-chloro-4-(4-(2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenyl)butyl)benzenesulfonyl fluoride (1:1)|3-chloro-4-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-tr|3-chloro-4-(4-(2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenyl)butyl)benzenesulfonyl fluoride cpd with ethanesulfonic acid|Ethanesulfonic acid, compd. with benzenesulfanilyl fluoride der. (1:1)|ethanesulfonic acid- 3-chloro-4-{4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]butyl}benzenesulfonyl fluoride(1:1)|3-chloro-4-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride,ethanesulfonic acid|3-chloro-4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride|Benzenesulfonyl fluoride, 3-chloro-4-(4-(2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)butyl)-, monoethanesulfonate (9CI)|Benzenesulfonyl fluoride, 3-chloro-4-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]butyl]-, monoethanesulfonate|Benzenesulfonyl fluoride,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]butyl]-, monoethanesulfonate|Ethanesulfonic acid compound with 3-chloro-4-(4-(2-chloro-4-(4,6-diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)phenyl)butyl)benzenesulfonyl fluoride (1:1)|Ethanesulfonic acid, compd. with 3-chloro-4-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]butyl]benzenesulfonyl fluoride (1:1)|Ethanesulfonic acid, compd. with 3-chloro-4-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenyl]butyl]benzenesulfonyl fluoride (1:1)|Ethanesulfonic acid,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]butyl]benzenesulfonyl fluoride (1:1)|Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenyl]butyl]benzenesulfonyl fluoride|Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenyl]butyl]benzenesulfonyl fluoride (1:1)|Ethanesulfonic acid--3-chloro-4-{4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]butyl}benzene-1-sulfonyl fluoride (1/1)

Molecular Formula	C23H30Cl2FN5O5S2
Molecular Weight	609.1049 g/mol
LogP	4.2966
Topological Polar Surface Area	185.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	609.1049
Monoisotopic Mass	609.1049
Heavy Atoms	38
Complexity	938.0
Solubility	TFA > 200 (mg/mL)

Chemical Identifiers

CAS Number	36233-19-9
SMILES	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=C(C=C(C=C3)S(=O)(=O)F)Cl)Cl)N)N)C
InChIKey	JNVLQWBZTYBYKN-UHFFFAOYSA-N