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-(4-methylphenoxy)acetamide
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-(4-methylphenoxy)acetamide
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-(4-methylphenoxy)acetamide
Compound characteristics
| Compound ID: | G072-2037 |
| 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-(4-methylphenoxy)acetamide |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C20 H18 N6 O3 S3 |
| Smiles: | Cc1ccc(cc1)OCC(Nc1nnc(SCC2=CC(N3C(=N2)SC(C2CC2)=N3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2757 |
| logD: | 4.2707 |
| logSw: | -4.2473 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.805 |
| InChI Key: | SSOWTOXLWLWRLC-UHFFFAOYSA-N |