2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | G731-0251 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 402.86 |
| Molecular Formula: | C18 H15 Cl N4 O3 S |
| Smiles: | C1COc2cc(ccc2O1)NC(CSc1nnc(c2ccccc2[Cl])[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1019 |
| logD: | 0.9102 |
| logSw: | -3.4239 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.446 |
| InChI Key: | YXYPBGSLTGUWBK-UHFFFAOYSA-N |