4-{[(2S)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[(2S)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl}benzonitrile
4-{[(2S)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | P930-1296 |
| Compound Name: | 4-{[(2S)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl}benzonitrile |
| Molecular Weight: | 329.4 |
| Molecular Formula: | C20 H19 N5 |
| Smiles: | C1C[C@@H](c2nnc(c3ccccc3)[nH]2)N(C1)Cc1ccc(C#N)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.7137 |
| logD: | 2.6773 |
| logSw: | -2.9291 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.766 |
| InChI Key: | JPUMHKGOFNGIRT-SFHVURJKSA-N |