2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-N-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-N-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-N-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | Y501-0674 |
| Compound Name: | 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-N-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 433.57 |
| Molecular Formula: | C25 H27 N3 O2 S |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(cc1)SC)C(Nc1ccccn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6575 |
| logD: | 2.6278 |
| logSw: | -4.4593 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.627 |
| InChI Key: | KOCLNSLPPORYAS-QFIPXVFZSA-N |