N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
Chemical Structure Depiction of
N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
Compound characteristics
| Compound ID: | G072-2349 |
| Compound Name: | N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide |
| Molecular Weight: | 470.63 |
| Molecular Formula: | C22 H22 N4 O2 S3 |
| Smiles: | CCCC(Nc1ccc2c(c1)sc(n2)SCC1=CC(N2C3CCCCC=3SC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4608 |
| logD: | 4.4608 |
| logSw: | -4.3806 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.334 |
| InChI Key: | CKPUOVMIOIRINK-UHFFFAOYSA-N |