4-[(2S)-2-(5-methyl-4H-1,2,4-triazol-3-yl)pyrrolidine-1-sulfonyl]benzonitrile
Chemical Structure Depiction of
4-[(2S)-2-(5-methyl-4H-1,2,4-triazol-3-yl)pyrrolidine-1-sulfonyl]benzonitrile
4-[(2S)-2-(5-methyl-4H-1,2,4-triazol-3-yl)pyrrolidine-1-sulfonyl]benzonitrile
Compound characteristics
| Compound ID: | P930-0456 |
| Compound Name: | 4-[(2S)-2-(5-methyl-4H-1,2,4-triazol-3-yl)pyrrolidine-1-sulfonyl]benzonitrile |
| Molecular Weight: | 317.37 |
| Molecular Formula: | C14 H15 N5 O2 S |
| Smiles: | Cc1nnc([C@@H]2CCCN2S(c2ccc(C#N)cc2)(=O)=O)[nH]1 |
| Stereo: | ABSOLUTE |
| logP: | 0.6402 |
| logD: | 0.6357 |
| logSw: | -2.3239 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.24 |
| InChI Key: | VDWSMUBUAZRXJT-ZDUSSCGKSA-N |