2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Chemical Structure Depiction of
2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | G786-1520 |
| Compound Name: | 2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one |
| Molecular Weight: | 310.38 |
| Molecular Formula: | C16 H14 N4 O S |
| Smiles: | Cn1c(c2cccnc2)nnc1SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7565 |
| logD: | 1.7225 |
| logSw: | -1.6204 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.816 |
| InChI Key: | LDRTUFKOZGMDNZ-UHFFFAOYSA-N |