NSC697942

dimethyl 12-cyclohexyl-8-oxo-1-phenyl-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-10,11-dicarboxylate

Also Known As: NCI60_034998|dimethyl cyclohexyl-oxo-phenyl-[?]dicarboxylate|5H-Benzocyclohepten-5,8-imine-6,7-dicarboxylic acid, 10-cyclohexyl-8,9-dihydro-9-oxo-5-phenyl-, dimethyl ester|6,7-Dimethyl 10-cyclohexyl-8,9-dihydro-9-oxo-5-phenyl-5H-benzocyclohepten-5,8-imine-6,7-dicarboxylate|Dimethyl 10-cyclohexyl-9-oxo-5-phenyl-8,9-dihydro-5H-5,8-epiminobenzo[7]annulene-6,7-dicarboxylate

Molecular Formula	C27H27NO5
Molecular Weight	445.18893 g/mol
LogP	4.4
Topological Polar Surface Area	72.9 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	445.18893
Monoisotopic Mass	445.18893
Heavy Atoms	33
Complexity	837.0

Chemical Identifiers

CAS Number	28443-84-7
SMILES	COC(=O)C1=C(C2(C3=CC=CC=C3C(=O)C1N2C4CCCCC4)C5=CC=CC=C5)C(=O)OC
InChIKey	VXLDKAIUAGICGO-UHFFFAOYSA-N