cycloheptyl 4-(2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
cycloheptyl 4-(2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
cycloheptyl 4-(2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8013-7109 |
| Compound Name: | cycloheptyl 4-(2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 451.56 |
| Molecular Formula: | C27 H33 N O5 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc2c(c1)OCO2)C(=O)OC1CCCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.831 |
| logD: | 1.5439 |
| logSw: | -5.4621 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.452 |
| InChI Key: | QVVYMWRUKPCXDT-DEOSSOPVSA-N |