AC1NFREE

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

Also Known As: MS-6809|KS-00003P91|6-(1H-indol-3-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid|10-(1H-indol-3-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|10-(1H-indol-3-yl)-14,14-dimethyl-12-oxo-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6-tetraene-5-carboxylicacid|11-(1H-indol-3-yl)-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-7-carboxylic acid|2,9-Diaza-10-indol-3-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	C24H23N3O3
Molecular Weight	401.17395 g/mol
LogP	5.088
Topological Polar Surface Area	94.22 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	401.17395
Monoisotopic Mass	401.17395
Heavy Atoms	30
Complexity	1235.4769

Chemical Identifiers

CAS Number	1024355-02-9
SMILES	CC1(CC2=C(C(NC3=C(N2)C=C(C=C3)C(=O)O)C4=CNC5=CC=CC=C54)C(=O)C1)C