ethyl 4-(2-{[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | G199-3395 |
| Compound Name: | ethyl 4-(2-{[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 479.51 |
| Molecular Formula: | C23 H21 N5 O5 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1=NC(c2ccc(cc2)OC)=NC2=CC(NN12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.307 |
| logD: | 3.3069 |
| logSw: | -3.5596 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.38 |
| InChI Key: | OCXFIOSMNZNDKX-UHFFFAOYSA-N |