AC1LCL2O

6-(2,4-dimethoxyphenyl)-9,9-dimethyl-5-propanoyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Also Known As: Oprea1_143490|Oprea1_596287|BAS 02927177|AK-968/37171059|SR-01000470662-1|6-(2,4-dimethoxyphenyl)-9,9-dimethyl-5-propanoyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one|11-(2,4-Dimethoxyphenyl)-3,3-dimethyl-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one|1-[11-(2,4-dimethoxyphenyl)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]propan-1-one|11-(2,4-Dimethoxy-phenyl)-3,3-dimethyl-10-propionyl-2,3,4,5,10,11-hexahydro-dibenzo[b,E][1,4]diazepin-1-one|11-(2,4-dimethoxyphenyl)-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|11-(2,4-Dimethoxyphenyl)-3,3-dimethyl-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one #

Molecular Formula	C26H30N2O4
Molecular Weight	434.22055 g/mol
LogP	4.0
Topological Polar Surface Area	67.9 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	434.22055
Monoisotopic Mass	434.22055
Heavy Atoms	32
Complexity	761.0

Chemical Identifiers

CAS Number	354545-20-3
SMILES	CCC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=C(C=C(C=C4)OC)OC
InChIKey	CFXRUWIAACZKTI-UHFFFAOYSA-N