4-[4-methyl-3-(4-methylphenyl)piperazine-1-sulfonyl]benzonitrile
Chemical Structure Depiction of
4-[4-methyl-3-(4-methylphenyl)piperazine-1-sulfonyl]benzonitrile
4-[4-methyl-3-(4-methylphenyl)piperazine-1-sulfonyl]benzonitrile
Compound characteristics
| Compound ID: | T427-1000 |
| Compound Name: | 4-[4-methyl-3-(4-methylphenyl)piperazine-1-sulfonyl]benzonitrile |
| Molecular Weight: | 355.46 |
| Molecular Formula: | C19 H21 N3 O2 S |
| Smiles: | Cc1ccc(cc1)C1CN(CCN1C)S(c1ccc(C#N)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6068 |
| logD: | 2.5786 |
| logSw: | -2.879 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.054 |
| InChI Key: | KQCWSKJWHFEVLD-IBGZPJMESA-N |