2-{[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | F424-0546 |
| Compound Name: | 2-{[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 483.57 |
| Molecular Formula: | C22 H21 N5 O4 S2 |
| Smiles: | COc1ccc(cc1OC)c1cc2C(NN=C(n2n1)SCC(Nc1cccc(c1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4483 |
| logD: | 3.4468 |
| logSw: | -3.8375 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.725 |
| InChI Key: | NVCSXBMWFIFLHN-UHFFFAOYSA-N |