pentyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
pentyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
pentyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1630-1570 |
| Compound Name: | pentyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 460.41 |
| Molecular Formula: | C24 H30 Br N O3 |
| Smiles: | CCCCCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1cccc(c1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.198 |
| logD: | 1.9109 |
| logSw: | -5.2476 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.969 |
| InChI Key: | LREUVQCTLKLZKJ-NRFANRHFSA-N |