4-[(2-{4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy)methyl]benzonitrile
Chemical Structure Depiction of
4-[(2-{4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy)methyl]benzonitrile
4-[(2-{4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy)methyl]benzonitrile
Compound characteristics
| Compound ID: | V007-8417 |
| Compound Name: | 4-[(2-{4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy)methyl]benzonitrile |
| Molecular Weight: | 541.72 |
| Molecular Formula: | C31 H35 N5 O2 S |
| Salt: | not_available |
| Smiles: | CSc1c(cccn1)C(N1CCN(CC1)CC(c1cccc(c1)N1CCCC1)OCc1ccc(C#N)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9458 |
| logD: | 3.9438 |
| logSw: | -3.972 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.362 |
| InChI Key: | AUUSESBGNIRENU-LJAQVGFWSA-N |