N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G199-3639 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 465.44 |
| Molecular Formula: | C21 H15 N5 O6 S |
| Smiles: | C1Oc2ccc(cc2O1)C1=NC2=CC(NN2C(=N1)SCC(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4529 |
| logD: | 2.4529 |
| logSw: | -2.9223 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.313 |
| InChI Key: | KZMSQMSVRGVPBQ-UHFFFAOYSA-N |