2-[(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)sulfanyl]benzonitrile
Chemical Structure Depiction of
2-[(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)sulfanyl]benzonitrile
2-[(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)sulfanyl]benzonitrile
Compound characteristics
| Compound ID: | 8015-0887 |
| Compound Name: | 2-[(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)sulfanyl]benzonitrile |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C26 H23 N3 O3 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1ccccc1Sc1ccccc1C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.022 |
| logD: | 3.8304 |
| logSw: | -4.1804 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.327 |
| InChI Key: | FIBBUXANYKOBOP-UHFFFAOYSA-N |