N-(3-chloro-2-methylphenyl)-2-{[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-{[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
N-(3-chloro-2-methylphenyl)-2-{[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G199-3691 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-{[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 469.95 |
| Molecular Formula: | C22 H20 Cl N5 O3 S |
| Smiles: | CCOc1ccc(cc1)C1=NC2=CC(NN2C(=N1)SCC(Nc1cccc(c1C)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8995 |
| logD: | 3.8994 |
| logSw: | -4.2178 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.508 |
| InChI Key: | IBBMKLODXZPMTD-UHFFFAOYSA-N |