N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
Chemical Structure Depiction of
N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
Compound characteristics
| Compound ID: | G072-1834 |
| Compound Name: | N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide |
| Molecular Weight: | 431.56 |
| Molecular Formula: | C18 H17 N5 O2 S3 |
| Smiles: | CCCC(Nc1ccc2c(c1)sc(n2)SCC1=CC(N2C(=N1)SC(C)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9044 |
| logD: | 3.9019 |
| logSw: | -3.9227 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.675 |
| InChI Key: | YIVJISOHJIMWIP-UHFFFAOYSA-N |