4-phenyl-1-{3-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}butan-1-one
Chemical Structure Depiction of
4-phenyl-1-{3-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}butan-1-one
4-phenyl-1-{3-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | P937-3985 |
| Compound Name: | 4-phenyl-1-{3-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}butan-1-one |
| Molecular Weight: | 374.48 |
| Molecular Formula: | C23 H26 N4 O |
| Smiles: | C(CC(N1CCC(Cc2nnc(c3ccccc3)[nH]2)C1)=O)Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2226 |
| logD: | 4.187 |
| logSw: | -4.3426 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.163 |
| InChI Key: | SINRHSUBFICOKW-IBGZPJMESA-N |