N-(5-bromopyridin-2-yl)-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-(5-bromopyridin-2-yl)-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
N-(5-bromopyridin-2-yl)-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 4306-1056 |
| Compound Name: | N-(5-bromopyridin-2-yl)-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 560.57 |
| Molecular Formula: | C26 H30 Br N3 O2 S2 |
| Smiles: | CCc1cc(C2C(=C(C)NC3CC(C)(C)CC(C2=3)=O)C(Nc2ccc(cn2)[Br])=O)c(SCC)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0733 |
| logD: | 5.0031 |
| logSw: | -5.4331 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.735 |
| InChI Key: | MYXNPEARLSWFIL-QFIPXVFZSA-N |