butyl 4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
butyl 4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
butyl 4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1630-0948 |
| Compound Name: | butyl 4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 401.93 |
| Molecular Formula: | C23 H28 Cl N O3 |
| Smiles: | CCCCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6209 |
| logD: | 1.497 |
| logSw: | -5.8167 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.969 |
| InChI Key: | LLKCXZSQOUEMGQ-FQEVSTJZSA-N |