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-ethylbutanamide
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-ethylbutanamide
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-ethylbutanamide
Compound characteristics
| Compound ID: | G072-2032 |
| 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-ethylbutanamide |
| Molecular Weight: | 436.57 |
| Molecular Formula: | C17 H20 N6 O2 S3 |
| Smiles: | CCC(CC)C(Nc1nnc(SCC2=CC(N3C(=N2)SC(C2CC2)=N3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9849 |
| logD: | 3.9751 |
| logSw: | -3.9403 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.791 |
| InChI Key: | PPXSMFLNDZRKTE-UHFFFAOYSA-N |