2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-3-yl)acetamide
Chemical Structure Depiction of
2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-3-yl)acetamide
2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-3-yl)acetamide
Compound characteristics
Compound ID: | D489-0611 |
Compound Name: | 2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-3-yl)acetamide |
Molecular Weight: | 415.52 |
Molecular Formula: | C23 H21 N5 O S |
Smiles: | Cc1ccc(cc1C)c1nnc(n1c1ccccc1)SCC(Nc1cccnc1)=O |
Stereo: | ACHIRAL |
logP: | 4.5736 |
logD: | 4.5731 |
logSw: | -4.143 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.38 |
InChI Key: | YVUXJCMNQOJGEQ-UHFFFAOYSA-N |