2-cyclohexyl-7-({[2-(furan-2-yl)-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-cyclohexyl-7-({[2-(furan-2-yl)-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-cyclohexyl-7-({[2-(furan-2-yl)-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: | G199-1793 |
| Compound Name: | 2-cyclohexyl-7-({[2-(furan-2-yl)-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: | 481.55 |
| Molecular Formula: | C21 H19 N7 O3 S2 |
| Smiles: | C1CCC(CC1)C1=NN2C(=NC(CSC3=NC(c4ccco4)=NC4=CC(NN34)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.0487 |
| logD: | 3.0486 |
| logSw: | -3.2879 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.736 |
| InChI Key: | ZETSWHFLVSOUOO-UHFFFAOYSA-N |