1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}-4-phenylbutan-1-one
Chemical Structure Depiction of
1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}-4-phenylbutan-1-one
1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | P936-3362 |
| Compound Name: | 1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}-4-phenylbutan-1-one |
| Molecular Weight: | 388.51 |
| Molecular Formula: | C24 H28 N4 O |
| Smiles: | C(CC(N1CCC(Cc2nncn2Cc2ccccc2)C1)=O)Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7715 |
| logD: | 3.7715 |
| logSw: | -4.0842 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.72 |
| InChI Key: | SKHIAJIVTYSXCP-QFIPXVFZSA-N |