methyl 2-({[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 2-({[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
methyl 2-({[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | V004-7448 |
| Compound Name: | methyl 2-({[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 436.92 |
| Molecular Formula: | C22 H17 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | COC(c1ccccc1CSc1nnc(c2cccnc2)n1c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5475 |
| logD: | 4.5433 |
| logSw: | -4.7099 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.404 |
| InChI Key: | SDDYHZXQCHUTAZ-UHFFFAOYSA-N |