2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
Compound ID: | Y500-0091 |
Compound Name: | 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide |
Molecular Weight: | 416.5 |
Molecular Formula: | C23 H20 N4 O2 S |
Smiles: | COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(Nc1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 4.4566 |
logD: | 4.4566 |
logSw: | -4.2638 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.406 |
InChI Key: | DWAVCQOTBUSJBD-UHFFFAOYSA-N |