2-{[2-(3-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(4-ethylphenyl)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-(4-ethylphenyl)acetamide
2-{[2-(3-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | G199-3569 |
| Compound Name: | 2-{[2-(3-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(4-ethylphenyl)acetamide |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C21 H18 Cl N5 O2 S |
| Smiles: | CCc1ccc(cc1)NC(CSC1=NC(c2cccc(c2)[Cl])=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2908 |
| logD: | 4.2908 |
| logSw: | -4.4572 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.082 |
| InChI Key: | ZZSMVMLTCPIYNG-UHFFFAOYSA-N |