2-methyl-7-{[(7-oxo-2-phenyl-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-methyl-7-{[(7-oxo-2-phenyl-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-methyl-7-{[(7-oxo-2-phenyl-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: | G199-0047 |
| Compound Name: | 2-methyl-7-{[(7-oxo-2-phenyl-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: | 423.47 |
| Molecular Formula: | C18 H13 N7 O2 S2 |
| Smiles: | CC1=NN2C(=NC(CSC3=NC(c4ccccc4)=NC4=CC(NN34)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.0277 |
| logD: | 2.0253 |
| logSw: | -2.3884 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.41 |
| InChI Key: | RKSSYSXFEFHIQW-UHFFFAOYSA-N |