2-phenyl-1-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-phenyl-1-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}ethan-1-one
2-phenyl-1-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | P936-3163 |
| Compound Name: | 2-phenyl-1-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}ethan-1-one |
| Molecular Weight: | 346.43 |
| Molecular Formula: | C21 H22 N4 O |
| Smiles: | C1CN(CC1Cc1nncn1c1ccccc1)C(Cc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8567 |
| logD: | 2.8567 |
| logSw: | -3.1573 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.179 |
| InChI Key: | COIVSMMBOXDQIJ-SFHVURJKSA-N |