2-cyclopropyl-7-({[2-(4-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-cyclopropyl-7-({[2-(4-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-cyclopropyl-7-({[2-(4-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G199-0400 |
| Compound Name: | 2-cyclopropyl-7-({[2-(4-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 463.54 |
| Molecular Formula: | C21 H17 N7 O2 S2 |
| Smiles: | Cc1ccc(cc1)C1=NC2=CC(NN2C(=N1)SCC1=CC(N2C(=N1)SC(C1CC1)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1768 |
| logD: | 3.1734 |
| logSw: | -3.3142 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.488 |
| InChI Key: | KRRXFXWDTULPSS-UHFFFAOYSA-N |