N-(2-{[(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-4-methylbenzamide
Chemical Structure Depiction of
N-(2-{[(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-4-methylbenzamide
N-(2-{[(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-4-methylbenzamide
Compound characteristics
| Compound ID: | G072-1229 |
| Compound Name: | N-(2-{[(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-4-methylbenzamide |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C23 H20 N4 O2 S2 |
| Smiles: | Cc1ccc(cc1)C(Nc1ccccc1SCC1=CC(N2C(=N1)SC(C1CC1)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5562 |
| logD: | 4.5526 |
| logSw: | -4.3879 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.916 |
| InChI Key: | JXPYNNZOWAZQPX-UHFFFAOYSA-N |