ethyl 4-(4-bromo-5-ethylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-bromo-5-ethylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 4-(4-bromo-5-ethylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 3830-0823 |
| Compound Name: | ethyl 4-(4-bromo-5-ethylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 452.41 |
| Molecular Formula: | C21 H26 Br N O3 S |
| Smiles: | CCc1c(cc(C2C(=C(C)NC3CC(C)(C)CC(C2=3)=O)C(=O)OCC)s1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2742 |
| logD: | 0.8346 |
| logSw: | -5.1515 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.693 |
| InChI Key: | UZPUFFQMSSXPGX-IBGZPJMESA-N |