benzyl {[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
benzyl {[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V002-7507 |
| Compound Name: | benzyl {[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 449.96 |
| Molecular Formula: | C24 H20 Cl N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccccc2[Cl])nnc1SCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.8589 |
| logD: | 5.8587 |
| logSw: | -5.7633 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.946 |
| InChI Key: | YWQOJGLBSPHDQL-UHFFFAOYSA-N |