1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(thiophen-3-yl)ethan-1-one
Chemical Structure Depiction of
1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(thiophen-3-yl)ethan-1-one
1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(thiophen-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | T501-0728 |
| Compound Name: | 1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(thiophen-3-yl)ethan-1-one |
| Molecular Weight: | 380.51 |
| Molecular Formula: | C21 H24 N4 O S |
| Smiles: | C1CC(Cc2nncn2Cc2ccccc2)CN(C1)C(Cc1ccsc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9144 |
| logD: | 2.9144 |
| logSw: | -3.2008 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.372 |
| InChI Key: | ORSUYPJDUNCSAK-GOSISDBHSA-N |