AC1LJVOX

8-chloro-6-(2-chlorophenyl)-1-(furan-2-ylmethylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Also Known As: Oprea1_735833|4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-(((2-furanylmethyl)thio)methyl)-|8-Chloro-6-(2-chlorophenyl)-1-(2-furfurylthiomethyl)-4H-s-triazolo(4,3-a)-1,4-benzodiazepine|AE-641/30154009|8-chloro-6-(2-chlorophenyl)-1-(furan-2-ylmethylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine|8-Chloro-6-(2-chlorophenyl)-1-({[(furan-2-yl)methyl]sulfanyl}methyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine|8-chloro-6-(2-chlorophenyl)-1-{[(2-furylmethyl)sulfanyl]methyl}-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Molecular Formula	C22H16Cl2N4OS
Molecular Weight	454.04218 g/mol
LogP	5.9515
Topological Polar Surface Area	56.21 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	454.04218
Monoisotopic Mass	454.04218
Heavy Atoms	30
Complexity	1233.9307

Chemical Identifiers

CAS Number	85677-76-5
SMILES	C1C2=NN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4Cl)CSCC5=CC=CO5