4-methoxy-N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
4-methoxy-N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)benzamide
4-methoxy-N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | G072-1565 |
| Compound Name: | 4-methoxy-N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 477.6 |
| Molecular Formula: | C25 H23 N3 O3 S2 |
| Smiles: | COc1ccc(cc1)C(Nc1ccccc1SCC1=CC(N2C3CCCCC=3SC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.051 |
| logD: | 4.051 |
| logSw: | -4.204 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.041 |
| InChI Key: | OPFUCKHOOHAQHA-UHFFFAOYSA-N |