methyl 2-({[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 2-({[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
methyl 2-({[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | V030-7613 |
| Compound Name: | methyl 2-({[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 465.96 |
| Molecular Formula: | C24 H20 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | COC(c1ccccc1CSc1nnc(c2ccccc2[Cl])n1c1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4278 |
| logD: | 5.4278 |
| logSw: | -5.7872 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.216 |
| InChI Key: | QVDVDEBXJAPZMT-UHFFFAOYSA-N |