2-{[2-(4-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
2-{[2-(4-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | G199-3137 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 471.92 |
| Molecular Formula: | C21 H18 Cl N5 O4 S |
| Smiles: | COc1ccc(cc1OC)NC(CSC1=NC(c2ccc(cc2)[Cl])=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8528 |
| logD: | 2.8528 |
| logSw: | -3.6236 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.343 |
| InChI Key: | ICQCEIWTZNGWDN-UHFFFAOYSA-N |