2-[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
2-[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | Y205-6676 |
| Compound Name: | 2-[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide |
| Molecular Weight: | 446.95 |
| Molecular Formula: | C21 H23 Cl N4 O3 S |
| Smiles: | CCn1c(Cc2ccccc2)nnc1SCC(Nc1cc(c(cc1OC)[Cl])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.751 |
| logD: | 3.723 |
| logSw: | -4.0377 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.654 |
| InChI Key: | IEBZGXUNMWNNJX-UHFFFAOYSA-N |