ethyl 4-(4-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 4-(4-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8003-8223 |
| Compound Name: | ethyl 4-(4-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 424.36 |
| Molecular Formula: | C19 H22 Br N O3 S |
| Smiles: | CCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1cc(cs1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.478 |
| logD: | 0.0384 |
| logSw: | -4.2923 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.693 |
| InChI Key: | QPWXDXKJNJNZFE-KRWDZBQOSA-N |