4-[(2S)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
4-[(2S)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile
4-[(2S)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | P930-1236 |
| Compound Name: | 4-[(2S)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile |
| Molecular Weight: | 343.39 |
| Molecular Formula: | C20 H17 N5 O |
| Smiles: | C1C[C@@H](c2nnc(c3ccccc3)[nH]2)N(C1)C(c1ccc(C#N)cc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.2702 |
| logD: | 2.2346 |
| logSw: | -2.6548 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.516 |
| InChI Key: | JWNVFQALTKAISA-KRWDZBQOSA-N |