4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 4306-0996 |
| Compound Name: | 4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 498.68 |
| Molecular Formula: | C27 H31 F N2 O2 S2 |
| Smiles: | CCc1cc(C2C(=C(C)NC3CC(C)(C)CC(C2=3)=O)C(Nc2cccc(c2)F)=O)c(SCC)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6657 |
| logD: | 4.6824 |
| logSw: | -5.6517 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.031 |
| InChI Key: | MVYRHKWUVOGVQO-QHCPKHFHSA-N |