N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y501-8028 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 571.45 |
| Molecular Formula: | C24 H23 Br N6 O4 S |
| Smiles: | CCOc1ccc(cc1)n1c(c2c(c(C)n(C)n2)[Br])nnc1SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9066 |
| logD: | 3.9065 |
| logSw: | -4.01 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.134 |
| InChI Key: | INDFDOZTIBRHQE-UHFFFAOYSA-N |