AC1NMY2K

6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid

Also Known As: KS-00003NTD|6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid|[9.4.0.0<3,8>]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic ac id|2,9-diaza-10-benzo[d]1,3-dioxolen-5-yl-14,14-dimethyl-12-oxotricyclo|10-(2H-1,3-benzodioxol-5-yl)-14,14-dimethyl-12-oxo-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic acid|2,9-diaza-10-benzo[d]1,3-dioxolen-5-yl-14,14-dimethyl-12-oxotricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylic acid

Molecular Formula	C23H22N2O5
Molecular Weight	406.15286 g/mol
LogP	4.3354
Topological Polar Surface Area	96.89 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	2
Exact Mass	406.15286
Monoisotopic Mass	406.15286
Heavy Atoms	30
Complexity	1118.5717

Chemical Identifiers

CAS Number	1024289-56-2
SMILES	CC1(CC2=C(C(NC3=C(N2)C=C(C=C3)C(=O)O)C4=CC5=C(C=C4)OCO5)C(=O)C1)C