4-{4-[(4-methoxyphenyl)methyl]piperidine-1-sulfonyl}benzonitrile
Chemical Structure Depiction of
4-{4-[(4-methoxyphenyl)methyl]piperidine-1-sulfonyl}benzonitrile
4-{4-[(4-methoxyphenyl)methyl]piperidine-1-sulfonyl}benzonitrile
Compound characteristics
| Compound ID: | V002-9372 |
| Compound Name: | 4-{4-[(4-methoxyphenyl)methyl]piperidine-1-sulfonyl}benzonitrile |
| Molecular Weight: | 370.47 |
| Molecular Formula: | C20 H22 N2 O3 S |
| Smiles: | COc1ccc(CC2CCN(CC2)S(c2ccc(C#N)cc2)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0384 |
| logD: | 4.0384 |
| logSw: | -4.1615 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.278 |
| InChI Key: | UDXJGQRSAAPGFT-UHFFFAOYSA-N |