7-({[2-(furan-2-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}methyl)-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-({[2-(furan-2-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}methyl)-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-({[2-(furan-2-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}methyl)-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G199-1787 |
| Compound Name: | 7-({[2-(furan-2-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}methyl)-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 413.43 |
| Molecular Formula: | C16 H11 N7 O3 S2 |
| Smiles: | CC1=NN2C(=NC(CSC3=NC(c4ccco4)=NC4=CC(NN34)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 1.2318 |
| logD: | 1.2294 |
| logSw: | -2.1967 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.988 |
| InChI Key: | JBVDBRCNWNPETC-UHFFFAOYSA-N |