3-methyl-N-(5-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
Chemical Structure Depiction of
3-methyl-N-(5-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
3-methyl-N-(5-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
Compound characteristics
| Compound ID: | G072-1867 |
| Compound Name: | 3-methyl-N-(5-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C14 H16 N6 O2 S3 |
| Smiles: | CC(C)CC(Nc1nnc(SCC2=CC(N3C(=N2)SC(C)=N3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9956 |
| logD: | 2.9896 |
| logSw: | -3.2119 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.499 |
| InChI Key: | ZXZSSLGHNRZYJL-UHFFFAOYSA-N |