4-(3-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidine-1-sulfonyl)benzonitrile
Chemical Structure Depiction of
4-(3-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidine-1-sulfonyl)benzonitrile
4-(3-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidine-1-sulfonyl)benzonitrile
Compound characteristics
| Compound ID: | P937-3942 |
| Compound Name: | 4-(3-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidine-1-sulfonyl)benzonitrile |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C19 H18 N6 O2 S |
| Smiles: | C1CN(CC1Cc1nnc(c2ccncc2)[nH]1)S(c1ccc(C#N)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7742 |
| logD: | 1.751 |
| logSw: | -2.5099 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.237 |
| InChI Key: | XVMQVGOODRPJFT-HNNXBMFYSA-N |