methyl 3-({[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 3-({[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
methyl 3-({[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | V011-4938 |
| Compound Name: | methyl 3-({[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(c1cccc(CSc2nnc(c3cccnc3)n2c2cccc(c2)[Cl])c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5027 |
| logD: | 4.4985 |
| logSw: | -4.6079 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.404 |
| InChI Key: | FCWTYBGZPBLRFU-UHFFFAOYSA-N |