2-ethyl-7-({[2-(2-fluorophenyl)-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-ethyl-7-({[2-(2-fluorophenyl)-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-ethyl-7-({[2-(2-fluorophenyl)-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: | G199-0976 |
| Compound Name: | 2-ethyl-7-({[2-(2-fluorophenyl)-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: | 455.49 |
| Molecular Formula: | C19 H14 F N7 O2 S2 |
| Smiles: | CCC1=NN2C(=NC(CSC3=NC(c4ccccc4F)=NC4=CC(NN34)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.4257 |
| logD: | 2.4226 |
| logSw: | -2.9124 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.14 |
| InChI Key: | VKCGKSPNBHWQIY-UHFFFAOYSA-N |