AC1NFO1Z

9,9-dimethyl-6-(5-nitro-2-pyridin-2-ylsulfanylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

Also Known As: KS-00003PBU|MS-7121|14,14-dimethyl-10-[5-nitro-2-(pyridin-2-ylsulfanyl)phenyl]-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one|9,9-dimethyl-6-(5-nitro-2-pyridin-2-ylsulfanylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one|2,10-Diaza-5,5-dimethyl-9-(5-nitro-2-(2-pyridylthio)phenyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one|3,3-dimethyl-11-[5-nitro-2-(2-pyridinylsulfanyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|9,9-dimethyl-6-[5-nitro-2-(2-pyridylsulfanyl)phenyl]-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

Molecular Formula	C26H24N4O3S
Molecular Weight	472.15692 g/mol
LogP	6.3629
Topological Polar Surface Area	97.16 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	472.15692
Monoisotopic Mass	472.15692
Heavy Atoms	34
Complexity	1320.6309

Chemical Identifiers

CAS Number	1024264-29-6
SMILES	CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=C(C=CC(=C4)[N+](=O)[O-])SC5=CC=CC=N5)C(=O)C1)C