2-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide
2-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | G432-0121 |
| Compound Name: | 2-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 452.62 |
| Molecular Formula: | C18 H24 N6 O2 S3 |
| Smiles: | CCCCC1=NN2C(=NC(CSCC(Nc3nnc(CCCC)s3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.4899 |
| logD: | 4.4394 |
| logSw: | -4.1884 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.364 |
| InChI Key: | VGZDQTCSUSMQMV-UHFFFAOYSA-N |