N-(2-chloro-4-methylphenyl)-2-{[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-2-{[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide
N-(2-chloro-4-methylphenyl)-2-{[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F424-0547 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-2-{[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide |
| Molecular Weight: | 485.95 |
| Molecular Formula: | C22 H20 Cl N5 O4 S |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(CSC1=NNC(c2cc(c3ccc(c(c3)OC)OC)nn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7112 |
| logD: | 3.7097 |
| logSw: | -4.1431 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.027 |
| InChI Key: | VREWMSLZYUPCBX-UHFFFAOYSA-N |