2-{[2-(2-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{[2-(2-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
2-{[2-(2-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
Compound ID: | G199-0522 |
Compound Name: | 2-{[2-(2-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide |
Molecular Weight: | 461.95 |
Molecular Formula: | C18 H16 Cl N7 O2 S2 |
Smiles: | CCCc1nnc(NC(CSC2=NC(c3ccccc3[Cl])=NC3=CC(NN23)=O)=O)s1 |
Stereo: | ACHIRAL |
logP: | 3.2677 |
logD: | 3.2385 |
logSw: | -3.7824 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 97.122 |
InChI Key: | DXFWKRUCQJGTFJ-UHFFFAOYSA-N |