N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}acetamide
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G432-0271 |
| Compound Name: | N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}acetamide |
| Molecular Weight: | 478.66 |
| Molecular Formula: | C20 H26 N6 O2 S3 |
| Smiles: | CCCCc1nnc(NC(CSCC2=CC(N3C(=N2)SC(C2CCCCC2)=N3)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.9591 |
| logD: | 4.909 |
| logSw: | -4.5457 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.381 |
| InChI Key: | HCICPYPMGXPJIJ-UHFFFAOYSA-N |