N-(5-{[(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
Chemical Structure Depiction of
N-(5-{[(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
N-(5-{[(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
Compound characteristics
| Compound ID: | G072-2040 |
| Compound Name: | N-(5-{[(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide |
| Molecular Weight: | 472.56 |
| Molecular Formula: | C19 H16 N6 O3 S3 |
| Smiles: | COc1ccccc1C(Nc1nnc(SCC2=CC(N3C(=N2)SC(C2CC2)=N3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7427 |
| logD: | 3.2512 |
| logSw: | -4.0891 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.15 |
| InChI Key: | MJGNLQSSEHSFRU-UHFFFAOYSA-N |