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
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
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: | G072-1948 |
| Compound Name: | 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: | 396.51 |
| Molecular Formula: | C14 H16 N6 O2 S3 |
| Smiles: | CCCC(Nc1nnc(SCC2=CC(N3C(=N2)SC(CC)=N3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.924 |
| logD: | 2.9185 |
| logSw: | -3.287 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.23 |
| InChI Key: | PSIMZQBXZXPRQT-UHFFFAOYSA-N |