N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-4-(piperidine-1-sulfonyl)benzamide
Chemical Structure Depiction of
N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-4-(piperidine-1-sulfonyl)benzamide
N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-4-(piperidine-1-sulfonyl)benzamide
Compound characteristics
| Compound ID: | 3341-1564 |
| Compound Name: | N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-4-(piperidine-1-sulfonyl)benzamide |
| Molecular Weight: | 429.56 |
| Molecular Formula: | C21 H23 N3 O3 S2 |
| Smiles: | C1CCN(CC1)S(c1ccc(cc1)C(Nc1ccccc1SCCC#N)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.924 |
| logD: | 2.9236 |
| logSw: | -3.5668 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.835 |
| InChI Key: | VVPRFTWVTPSQLE-UHFFFAOYSA-N |