N-[(3-methoxyphenyl)methyl]-2-{[2-(2-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-2-{[2-(2-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
N-[(3-methoxyphenyl)methyl]-2-{[2-(2-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G199-2978 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-2-{[2-(2-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C22 H21 N5 O3 S |
| Smiles: | Cc1ccccc1C1=NC2=CC(NN2C(=N1)SCC(NCc1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7351 |
| logD: | 2.7351 |
| logSw: | -3.3414 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.948 |
| InChI Key: | CYTIUKNRSKSREP-UHFFFAOYSA-N |