N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G199-3719 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 479.51 |
| Molecular Formula: | C23 H21 N5 O5 S |
| Smiles: | CCOc1ccc(cc1)C1=NC2=CC(NN2C(=N1)SCC(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0647 |
| logD: | 2.0647 |
| logSw: | -2.8381 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.029 |
| InChI Key: | GINIGNRBYGMGAJ-UHFFFAOYSA-N |