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)cyclohexanecarboxamide
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)cyclohexanecarboxamide
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)cyclohexanecarboxamide
Compound characteristics
| Compound ID: | G072-2030 |
| 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)cyclohexanecarboxamide |
| Molecular Weight: | 448.59 |
| Molecular Formula: | C18 H20 N6 O2 S3 |
| Smiles: | C1CCC(CC1)C(Nc1nnc(SCC2=CC(N3C(=N2)SC(C2CC2)=N3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0999 |
| logD: | 4.09 |
| logSw: | -4.0191 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.712 |
| InChI Key: | GBPIXNIRQOTZLO-UHFFFAOYSA-N |