N-(4-chloro-2,5-dimethoxyphenyl)-2-{[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chloro-2,5-dimethoxyphenyl)-2-{[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-chloro-2,5-dimethoxyphenyl)-2-{[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-6560 |
| Compound Name: | N-(4-chloro-2,5-dimethoxyphenyl)-2-{[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 448.93 |
| Molecular Formula: | C20 H21 Cl N4 O4 S |
| Smiles: | Cn1c(COc2ccccc2)nnc1SCC(Nc1cc(c(cc1OC)[Cl])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8933 |
| logD: | 2.8653 |
| logSw: | -3.4747 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.239 |
| InChI Key: | IODRZPMWIZCOOV-UHFFFAOYSA-N |