2-{[4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dichlorophenyl)acetamide
Chemical Structure Depiction of
2-{[4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dichlorophenyl)acetamide
2-{[4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dichlorophenyl)acetamide
Compound characteristics
Compound ID: | 8012-9532 |
Compound Name: | 2-{[4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dichlorophenyl)acetamide |
Molecular Weight: | 395.27 |
Molecular Formula: | C15 H12 Cl2 N6 O S |
Smiles: | C(C(Nc1ccc(cc1[Cl])[Cl])=O)Sc1nnc(c2ccncc2)n1N |
Stereo: | ACHIRAL |
logP: | 2.2471 |
logD: | 2.2387 |
logSw: | -3.2755 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 74.019 |
InChI Key: | VCTAMCVSWZXQPK-UHFFFAOYSA-N |