2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethan-1-one
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D419-0010 |
| Compound Name: | 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 392.52 |
| Molecular Formula: | C22 H24 N4 O S |
| Smiles: | CC1CCN(CC1)C(CSc1nnc(c2ccccc2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1542 |
| logD: | 4.1541 |
| logSw: | -4.0156 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.105 |
| InChI Key: | HJECRJDNVLXDFP-UHFFFAOYSA-N |