2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | G731-0163 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 432.93 |
| Molecular Formula: | C20 H21 Cl N4 O3 S |
| Smiles: | COc1ccc(CCNC(CSc2nnc(c3ccccc3[Cl])[nH]2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.1025 |
| logD: | 0.9108 |
| logSw: | -3.3031 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.048 |
| InChI Key: | VKKZMWKATGVPMA-UHFFFAOYSA-N |