3-(2-{[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)phenyl acetate
Chemical Structure Depiction of
3-(2-{[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)phenyl acetate
3-(2-{[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)phenyl acetate
Compound characteristics
| Compound ID: | 8019-3839 |
| Compound Name: | 3-(2-{[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)phenyl acetate |
| Molecular Weight: | 451.33 |
| Molecular Formula: | C19 H16 Cl2 N4 O3 S |
| Smiles: | CC(=O)Oc1cccc(c1)NC(CSc1nnc(c2ccc(cc2[Cl])[Cl])n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6451 |
| logD: | 3.6451 |
| logSw: | -4.18 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.951 |
| InChI Key: | MPIRNFTZXJFCRV-UHFFFAOYSA-N |