2-{[2-(2-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
Chemical Structure Depiction of
2-{[2-(2-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
2-{[2-(2-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
Compound characteristics
| Compound ID: | G199-0175 |
| Compound Name: | 2-{[2-(2-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide |
| Molecular Weight: | 455.56 |
| Molecular Formula: | C20 H21 N7 O2 S2 |
| Smiles: | CC(C)Cc1nnc(NC(CSC2=NC(c3ccccc3C)=NC3=CC(NN23)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.3968 |
| logD: | 3.3677 |
| logSw: | -3.8044 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.122 |
| InChI Key: | KRMGZHZWHNMMPY-UHFFFAOYSA-N |