2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V014-4355 |
| Compound Name: | 2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 407.54 |
| Molecular Formula: | C22 H25 N5 O S |
| Salt: | not_available |
| Smiles: | CC1CCN(CC1)C(CSc1nnc(c2ccncc2)n1c1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4908 |
| logD: | 3.4907 |
| logSw: | -3.6085 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.232 |
| InChI Key: | NZFZWHHEHNZVTN-UHFFFAOYSA-N |