N-[5-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide
Chemical Structure Depiction of
N-[5-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide
N-[5-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide
Compound characteristics
| Compound ID: | G072-1984 |
| Compound Name: | N-[5-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide |
| Molecular Weight: | 424.56 |
| Molecular Formula: | C16 H20 N6 O2 S3 |
| Smiles: | CCCC(Nc1nnc(SCC2=CC(N3C(=N2)SC(CC(C)C)=N3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7698 |
| logD: | 3.7663 |
| logSw: | -3.936 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.23 |
| InChI Key: | PPCTULUOXWXRNT-UHFFFAOYSA-N |