methyl {[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V001-8182 |
| Compound Name: | methyl {[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 340.4 |
| Molecular Formula: | C17 H16 N4 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2cccnc2)nnc1SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.3504 |
| logD: | 2.3462 |
| logSw: | -1.9265 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.081 |
| InChI Key: | CAXRPWGDUSMWIQ-UHFFFAOYSA-N |