butan-2-yl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
butan-2-yl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
butan-2-yl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 3607-5678 |
| Compound Name: | butan-2-yl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 446.38 |
| Molecular Formula: | C23 H28 Br N O3 |
| Smiles: | CCC(C)OC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1ccccc1[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7952 |
| logD: | 1.6712 |
| logSw: | -5.5811 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.237 |
| InChI Key: | DREGCMXRRNUOIK-UHFFFAOYSA-N |