2-phenoxy-1-{3-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-phenoxy-1-{3-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}ethan-1-one
2-phenoxy-1-{3-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | P937-4023 |
| Compound Name: | 2-phenoxy-1-{3-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}ethan-1-one |
| Molecular Weight: | 362.43 |
| Molecular Formula: | C21 H22 N4 O2 |
| Smiles: | C1CN(CC1Cc1nnc(c2ccccc2)[nH]1)C(COc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8062 |
| logD: | 2.7706 |
| logSw: | -3.1846 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.662 |
| InChI Key: | TWMBVTCBUPMBJN-INIZCTEOSA-N |