cyclopentyl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
cyclopentyl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
cyclopentyl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1630-0970 |
| Compound Name: | cyclopentyl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 458.39 |
| Molecular Formula: | C24 H28 Br N O3 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccccc1[Br])C(=O)OC1CCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3568 |
| logD: | 1.2328 |
| logSw: | -5.329 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.371 |
| InChI Key: | VDQHMGHQVLZSMN-NRFANRHFSA-N |