1-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(thiophen-2-yl)ethan-1-one
1-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | S517-0893 |
| Compound Name: | 1-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 380.51 |
| Molecular Formula: | C21 H24 N4 O S |
| Smiles: | C1CN(CCC1Cc1nncn1Cc1ccccc1)C(Cc1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.755 |
| logD: | 2.7548 |
| logSw: | -2.9363 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.439 |
| InChI Key: | RKOVJWBGSVGUJR-UHFFFAOYSA-N |