methyl {[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y206-5246 |
| Compound Name: | methyl {[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 297.76 |
| Molecular Formula: | C12 H12 Cl N3 O2 S |
| Smiles: | Cn1c(c2cccc(c2)[Cl])nnc1SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.4959 |
| logD: | 2.4959 |
| logSw: | -3.1052 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.901 |
| InChI Key: | NGDIORSBQZQYTC-UHFFFAOYSA-N |