methyl 4-(5-ethylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-(5-ethylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-(5-ethylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 3830-0813 |
| Compound Name: | methyl 4-(5-ethylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 359.49 |
| Molecular Formula: | C20 H25 N O3 S |
| Smiles: | CCc1ccc(C2C(=C(C)NC3CC(C)(C)CC(C2=3)=O)C(=O)OC)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1663 |
| logD: | -0.2734 |
| logSw: | -4.2416 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.113 |
| InChI Key: | UXFSLKBMDBAYDW-SFHVURJKSA-N |