2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Compound characteristics
Compound ID: | K822-0221 |
Compound Name: | 2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide |
Molecular Weight: | 369.44 |
Molecular Formula: | C18 H19 N5 O2 S |
Smiles: | CCn1c(c2cccnc2)nnc1SCC(Nc1ccc(cc1)OC)=O |
Stereo: | ACHIRAL |
logP: | 2.3312 |
logD: | 2.3145 |
logSw: | -2.2817 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.176 |
InChI Key: | YDLYFVYQQFSWOH-UHFFFAOYSA-N |