cyclohexyl 2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
cyclohexyl 2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
cyclohexyl 2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
Compound ID: | 3607-5716 |
Compound Name: | cyclohexyl 2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
Molecular Weight: | 475.59 |
Molecular Formula: | C29 H33 N O5 |
Smiles: | CC1=C(C(C2=COc3ccc(C)cc3C2=O)C2=C(CC(C)(C)CC2=O)N1)C(=O)OC1CCCCC1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.5344 |
logD: | 1.0582 |
logSw: | -5.3004 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.898 |
InChI Key: | NKSCXPSHPDHKLF-VWLOTQADSA-N |