benzyl {[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
benzyl {[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V018-0923 |
| Compound Name: | benzyl {[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C23 H20 N4 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2cccnc2)nnc1SCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.211 |
| logD: | 4.2068 |
| logSw: | -4.155 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.765 |
| InChI Key: | CHHUVUILWHVTQY-UHFFFAOYSA-N |