4-{[1-(3-methoxyphenyl)-2-{4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}ethoxy]methyl}benzonitrile
Chemical Structure Depiction of
4-{[1-(3-methoxyphenyl)-2-{4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}ethoxy]methyl}benzonitrile
4-{[1-(3-methoxyphenyl)-2-{4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}ethoxy]methyl}benzonitrile
Compound characteristics
| Compound ID: | V002-1863 |
| Compound Name: | 4-{[1-(3-methoxyphenyl)-2-{4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}ethoxy]methyl}benzonitrile |
| Molecular Weight: | 502.64 |
| Molecular Formula: | C28 H30 N4 O3 S |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)C(CN1CCN(CC1)C(c1cccnc1SC)=O)OCc1ccc(C#N)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3457 |
| logD: | 3.3441 |
| logSw: | -3.4966 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.087 |
| InChI Key: | FVIGBQSFECDKGQ-SANMLTNESA-N |