N-(5-bromopyridin-2-yl)-2-methyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-(5-bromopyridin-2-yl)-2-methyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
N-(5-bromopyridin-2-yl)-2-methyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 4306-1051 |
| Compound Name: | N-(5-bromopyridin-2-yl)-2-methyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 504.47 |
| Molecular Formula: | C22 H22 Br N3 O2 S2 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1cc(C)sc1SC)C(Nc1ccc(cn1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6729 |
| logD: | 3.9888 |
| logSw: | -5.192 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.735 |
| InChI Key: | GSOPHVKPNXSDEW-IBGZPJMESA-N |