1-(4-chlorophenyl)-2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-chlorophenyl)-2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 3996-0081 |
| Compound Name: | 1-(4-chlorophenyl)-2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 330.79 |
| Molecular Formula: | C15 H11 Cl N4 O S |
| Smiles: | C(C(c1ccc(cc1)[Cl])=O)Sc1nnc(c2ccncc2)[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.3336 |
| logD: | 1.3041 |
| logSw: | -3.2707 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.149 |
| InChI Key: | DXKJHCYFBQCSSD-UHFFFAOYSA-N |