7-({[2-(2-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}methyl)-2-cyclopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-({[2-(2-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}methyl)-2-cyclopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-({[2-(2-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}methyl)-2-cyclopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G199-0516 |
| Compound Name: | 7-({[2-(2-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}methyl)-2-cyclopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 483.96 |
| Molecular Formula: | C20 H14 Cl N7 O2 S2 |
| Smiles: | C1CC1C1=NN2C(=NC(CSC3=NC(c4ccccc4[Cl])=NC4=CC(NN34)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.1665 |
| logD: | 3.1632 |
| logSw: | -3.8083 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.488 |
| InChI Key: | FSKAVUPLEFCWKI-UHFFFAOYSA-N |