2-{[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}-N-{[4-(methylsulfanyl)phenyl]methyl}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-{[4-(methylsulfanyl)phenyl]methyl}acetamide
2-{[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | F424-1147 |
| Compound Name: | 2-{[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide |
| Molecular Weight: | 497.59 |
| Molecular Formula: | C23 H23 N5 O4 S2 |
| Smiles: | COc1ccc(cc1OC)c1cc2C(NN=C(n2n1)SCC(NCc1ccc(cc1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.388 |
| logD: | 3.3864 |
| logSw: | -3.8489 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.047 |
| InChI Key: | LIBBWIWMJUQMBE-UHFFFAOYSA-N |