AC1MGUTZ

methyl 4-[5-(ethylcarbamothioyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-6-yl]benzoate

Also Known As: methyl 4-[10-(ethylcarbamothioyl)-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate|methyl 4-[10-(ethylcarbamothioyl)-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate|methyl 4-(10-(ethylcarbamothioyl)-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate|methyl 4-[5-(ethylcarbamothioyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-6-yl]benzoate|METHYL 4-{10-[(ETHYLAMINO)CARBOTHIOYL]-3,3-DIMETHYL-1-OXO-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-11-YL}BENZOATE|methyl 4-{10-[(ethylamino)thioxomethyl]-3,3-dimethyl-1-oxo-2,3,4-trihydro-5H,1 1H-benzo[b]benzo[2,1-f]1,4-diazepin-11-yl}benzoate

Molecular Formula	C26H29N3O3S
Molecular Weight	463.19296 g/mol
LogP	4.984
Topological Polar Surface Area	70.67 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	463.19296
Monoisotopic Mass	463.19296
Heavy Atoms	33
Complexity	1137.7261

Chemical Identifiers

CAS Number	577962-39-1
SMILES	CCNC(=S)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(C=C4)C(=O)OC