2-{[2-(4-ethylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[2-(4-ethylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]acetamide
2-{[2-(4-ethylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F424-1035 |
| Compound Name: | 2-{[2-(4-ethylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C23 H23 N5 O3 S |
| Smiles: | CCc1ccc(cc1)c1cc2C(NN=C(n2n1)SCC(NCc1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0811 |
| logD: | 4.0796 |
| logSw: | -4.1705 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.33 |
| InChI Key: | XMDGBIVJDSTVPC-UHFFFAOYSA-N |