2-ethyl-N-(5-{[(2-ethyl-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
2-ethyl-N-(5-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
2-ethyl-N-(5-{[(2-ethyl-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: | G072-1957 |
| Compound Name: | 2-ethyl-N-(5-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide |
| Molecular Weight: | 424.56 |
| Molecular Formula: | C16 H20 N6 O2 S3 |
| Smiles: | CCC(CC)C(Nc1nnc(SCC2=CC(N3C(=N2)SC(CC)=N3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7356 |
| logD: | 3.726 |
| logSw: | -3.8838 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.443 |
| InChI Key: | MWRQMEBWYVIRHM-UHFFFAOYSA-N |