ethyl 4-(5-chloro-2-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(5-chloro-2-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 4-(5-chloro-2-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | K060-0118 |
| Compound Name: | ethyl 4-(5-chloro-2-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 391.87 |
| Molecular Formula: | C21 H23 Cl F N O3 |
| Smiles: | CCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1cc(ccc1F)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8825 |
| logD: | 0.7586 |
| logSw: | -4.8276 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.675 |
| InChI Key: | AXOZGEVCBPKUDL-SFHVURJKSA-N |