1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-(5-chloro-1H-benzimidazol-2-yl)propan-1-one
Chemical Structure Depiction of
1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-(5-chloro-1H-benzimidazol-2-yl)propan-1-one
1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-(5-chloro-1H-benzimidazol-2-yl)propan-1-one
Compound characteristics
| Compound ID: | T501-1365 |
| Compound Name: | 1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-(5-chloro-1H-benzimidazol-2-yl)propan-1-one |
| Molecular Weight: | 462.98 |
| Molecular Formula: | C25 H27 Cl N6 O |
| Smiles: | C1CC(Cc2nncn2Cc2ccccc2)CN(C1)C(CCc1nc2cc(ccc2[nH]1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6662 |
| logD: | 3.5987 |
| logSw: | -4.1271 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.635 |
| InChI Key: | SNJOCOWEGULOJA-LJQANCHMSA-N |