4-{3-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{3-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carbonyl}benzonitrile
4-{3-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | P937-1804 |
| Compound Name: | 4-{3-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carbonyl}benzonitrile |
| Molecular Weight: | 357.41 |
| Molecular Formula: | C21 H19 N5 O |
| Smiles: | C1CN(CC1Cc1nnc(c2ccccc2)[nH]1)C(c1ccc(C#N)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6766 |
| logD: | 2.641 |
| logSw: | -2.9792 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.746 |
| InChI Key: | IITHAUCOMPVKCY-INIZCTEOSA-N |