N-[(2,3-dimethoxyphenyl)methyl]-2-{[4-oxo-2-(thiophen-2-yl)-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2,3-dimethoxyphenyl)methyl]-2-{[4-oxo-2-(thiophen-2-yl)-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide
N-[(2,3-dimethoxyphenyl)methyl]-2-{[4-oxo-2-(thiophen-2-yl)-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F424-0831 |
| Compound Name: | N-[(2,3-dimethoxyphenyl)methyl]-2-{[4-oxo-2-(thiophen-2-yl)-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C20 H19 N5 O4 S2 |
| Smiles: | COc1cccc(CNC(CSC2=NNC(c3cc(c4cccs4)nn23)=O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 2.973 |
| logD: | 2.9714 |
| logSw: | -3.4007 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.152 |
| InChI Key: | XSAZUNNGLMCXNU-UHFFFAOYSA-N |