cyclopentyl 2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
cyclopentyl 2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
cyclopentyl 2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1630-1162 |
| Compound Name: | cyclopentyl 2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 393.53 |
| Molecular Formula: | C25 H31 N O3 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(C)cc1)C(=O)OC1CCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0173 |
| logD: | 0.7301 |
| logSw: | -4.75 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.371 |
| InChI Key: | ITBNVEMZHCUOTP-QFIPXVFZSA-N |