2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
Chemical Structure Depiction of
2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
Compound characteristics
| Compound ID: | G199-2098 |
| Compound Name: | 2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide |
| Molecular Weight: | 485.54 |
| Molecular Formula: | C20 H19 N7 O4 S2 |
| Smiles: | CC(C)Cc1nnc(NC(CSC2=NC(c3ccc4c(c3)OCO4)=NC3=CC(NN23)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.0601 |
| logD: | 3.0309 |
| logSw: | -3.3971 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.238 |
| InChI Key: | ZZUANXXPZUDEEW-UHFFFAOYSA-N |