N-(2-{[(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-3-methoxybenzamide
Chemical Structure Depiction of
N-(2-{[(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-3-methoxybenzamide
N-(2-{[(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-3-methoxybenzamide
Compound characteristics
| Compound ID: | G072-1257 |
| Compound Name: | N-(2-{[(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-3-methoxybenzamide |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C23 H20 N4 O3 S2 |
| Smiles: | COc1cccc(c1)C(Nc1ccccc1SCC1=CC(N2C(=N1)SC(C1CC1)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1949 |
| logD: | 4.1915 |
| logSw: | -4.3658 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.46 |
| InChI Key: | RVRQIHMLEBFZTI-UHFFFAOYSA-N |