2-ethoxyethyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-ethoxyethyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-ethoxyethyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1630-1535 |
| Compound Name: | 2-ethoxyethyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 462.38 |
| Molecular Formula: | C23 H28 Br N O4 |
| Smiles: | CCOCCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1cccc(c1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.398 |
| logD: | 0.1108 |
| logSw: | -4.4206 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.946 |
| InChI Key: | TWFWSZGWZDAYGU-FQEVSTJZSA-N |