2-{[2-(4-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(4-methoxyphenyl)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-(4-methoxyphenyl)acetamide
2-{[2-(4-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | G199-0618 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 441.89 |
| Molecular Formula: | C20 H16 Cl N5 O3 S |
| Smiles: | COc1ccc(cc1)NC(CSC1=NC(c2ccc(cc2)[Cl])=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3003 |
| logD: | 3.3003 |
| logSw: | -3.9326 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.626 |
| InChI Key: | OLICDYIPSGHUJG-UHFFFAOYSA-N |