2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
Compound characteristics
| Compound ID: | Y502-5597 |
| Compound Name: | 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide |
| Molecular Weight: | 384.41 |
| Molecular Formula: | C17 H16 N6 O3 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CSc1nnc(c2cccnc2)n1N)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6682 |
| logD: | 0.6614 |
| logSw: | -1.7029 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.244 |
| InChI Key: | HGGXKVCIQJCNNI-UHFFFAOYSA-N |