methyl 2-({[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 2-({[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
methyl 2-({[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | V030-7579 |
| Compound Name: | methyl 2-({[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 449.96 |
| Molecular Formula: | C24 H20 Cl N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2ccccc2[Cl])nnc1SCc1ccccc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 6.0744 |
| logD: | 6.0744 |
| logSw: | -5.9293 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.886 |
| InChI Key: | DOAQUZRKGWJYIN-UHFFFAOYSA-N |