4-[4-(1-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
4-[4-(1-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazine-1-carbonyl]benzonitrile
4-[4-(1-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | F897-0048 |
| Compound Name: | 4-[4-(1-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazine-1-carbonyl]benzonitrile |
| Molecular Weight: | 463.56 |
| Molecular Formula: | C24 H25 N5 O3 S |
| Smiles: | Cc1c(c(C)n(Cc2ccccc2)n1)S(N1CCN(CC1)C(c1ccc(C#N)cc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6421 |
| logD: | 1.6421 |
| logSw: | -2.2609 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.744 |
| InChI Key: | RHSAAWWSFOQKFG-UHFFFAOYSA-N |