2-{4-[4-(methylsulfanyl)phenyl]-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Chemical Structure Depiction of
2-{4-[4-(methylsulfanyl)phenyl]-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
2-{4-[4-(methylsulfanyl)phenyl]-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-7108 |
| Compound Name: | 2-{4-[4-(methylsulfanyl)phenyl]-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile |
| Molecular Weight: | 476.66 |
| Molecular Formula: | C27 H28 N2 O2 S2 |
| Smiles: | CSc1ccc(cc1)C1CC(N(C2CCCC(C1=2)=O)c1c(C#N)c2CCCCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7601 |
| logD: | 5.7601 |
| logSw: | -5.4582 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.963 |
| InChI Key: | NOBGYLJPYVYUEF-HXUWFJFHSA-N |