2-{[2-(4-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]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-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
2-{[2-(4-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | G199-3123 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 499.97 |
| Molecular Formula: | C23 H22 Cl N5 O4 S |
| Smiles: | COc1ccc(CCNC(CSC2=NC(c3ccc(cc3)[Cl])=NC3=CC(NN23)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.291 |
| logD: | 2.291 |
| logSw: | -3.455 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.507 |
| InChI Key: | RVFHJSRGSDVFCY-UHFFFAOYSA-N |