2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2,3-dimethoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2,3-dimethoxyphenyl)methyl]acetamide
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2,3-dimethoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G731-0281 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2,3-dimethoxyphenyl)methyl]acetamide |
| Molecular Weight: | 418.9 |
| Molecular Formula: | C19 H19 Cl N4 O3 S |
| Smiles: | COc1cccc(CNC(CSc2nnc(c3ccccc3[Cl])[nH]2)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 2.9516 |
| logD: | 1.7599 |
| logSw: | -3.6009 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.293 |
| InChI Key: | IYGQWJULUAPNTI-UHFFFAOYSA-N |