methyl 2-(2-{[2-(4-ethylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[2-(4-ethylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[2-(4-ethylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F424-0988 |
| Compound Name: | methyl 2-(2-{[2-(4-ethylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C23 H21 N5 O4 S |
| Smiles: | CCc1ccc(cc1)c1cc2C(NN=C(n2n1)SCC(Nc1ccccc1C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.142 |
| logD: | 4.1301 |
| logSw: | -4.1864 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.94 |
| InChI Key: | NSXAZAHWHZHGNG-UHFFFAOYSA-N |