N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(furan-2-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-(furan-2-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-(furan-2-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G199-3511 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(furan-2-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 411.39 |
| Molecular Formula: | C18 H13 N5 O5 S |
| Smiles: | C1Oc2ccc(cc2O1)NC(CSC1=NC(c2ccco2)=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6554 |
| logD: | 1.6554 |
| logSw: | -2.4445 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.776 |
| InChI Key: | ZYJKSORTDDLHFT-UHFFFAOYSA-N |