2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | G432-0291 |
| Compound Name: | 2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 450.6 |
| Molecular Formula: | C18 H22 N6 O2 S3 |
| Smiles: | CCc1nnc(NC(CSCC2=CC(N3C(=N2)SC(C2CCCCC2)=N3)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.9797 |
| logD: | 3.9296 |
| logSw: | -3.8716 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.381 |
| InChI Key: | BXFZCQNGZLUKCF-UHFFFAOYSA-N |