2-{[2-(3-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2-methoxyethyl)acetamide
Chemical Structure Depiction of
2-{[2-(3-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2-methoxyethyl)acetamide
2-{[2-(3-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2-methoxyethyl)acetamide
Compound characteristics
| Compound ID: | G199-3572 |
| Compound Name: | 2-{[2-(3-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2-methoxyethyl)acetamide |
| Molecular Weight: | 393.85 |
| Molecular Formula: | C16 H16 Cl N5 O3 S |
| Smiles: | COCCNC(CSC1=NC(c2cccc(c2)[Cl])=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3755 |
| logD: | 1.3755 |
| logSw: | -2.7448 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.86 |
| InChI Key: | XFSVCPUUACCFIR-UHFFFAOYSA-N |