methyl {[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V010-2230 |
| Compound Name: | methyl {[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 360.82 |
| Molecular Formula: | C16 H13 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | COC(CSc1nnc(c2cccnc2)n1c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5358 |
| logD: | 2.5316 |
| logSw: | -3.1184 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.081 |
| InChI Key: | FXRFKQVEMKONFM-UHFFFAOYSA-N |