N-(5-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide
Chemical Structure Depiction of
N-(5-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide
N-(5-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | G072-1997 |
| Compound Name: | N-(5-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide |
| Molecular Weight: | 410.54 |
| Molecular Formula: | C15 H18 N6 O2 S3 |
| Smiles: | CCCCC1=NN2C(=NC(CSc3nnc(NC(CC)=O)s3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.423 |
| logD: | 3.4211 |
| logSw: | -3.6613 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.23 |
| InChI Key: | PQZOOHYRPMYLIJ-UHFFFAOYSA-N |