methyl 4-(4-bromo-5-ethylthiophen-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-(4-bromo-5-ethylthiophen-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-(4-bromo-5-ethylthiophen-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 3830-0831 |
| Compound Name: | methyl 4-(4-bromo-5-ethylthiophen-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 410.33 |
| Molecular Formula: | C18 H20 Br N O3 S |
| Smiles: | CCc1c(cc(C2C(=C(C)NC3CCCC(C2=3)=O)C(=O)OC)s1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2281 |
| logD: | 0.1799 |
| logSw: | -4.2914 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.113 |
| InChI Key: | VJOONURAUUCORG-KRWDZBQOSA-N |