2-{[2-(4-tert-butylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2-chlorophenyl)acetamide
Chemical Structure Depiction of
2-{[2-(4-tert-butylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2-chlorophenyl)acetamide
2-{[2-(4-tert-butylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | G199-1657 |
| Compound Name: | 2-{[2-(4-tert-butylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2-chlorophenyl)acetamide |
| Molecular Weight: | 467.98 |
| Molecular Formula: | C23 H22 Cl N5 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1=NC2=CC(NN2C(=N1)SCC(Nc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5684 |
| logD: | 4.5683 |
| logSw: | -4.4183 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.384 |
| InChI Key: | CWCZUKNINUSWPI-UHFFFAOYSA-N |