3-methyl-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
3-methyl-N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)benzamide
3-methyl-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: | G072-1556 |
| Compound Name: | 3-methyl-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: | 461.6 |
| Molecular Formula: | C25 H23 N3 O2 S2 |
| Smiles: | Cc1cccc(c1)C(Nc1ccccc1SCC1=CC(N2C3CCCCC=3SC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4397 |
| logD: | 4.4393 |
| logSw: | -4.3054 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.497 |
| InChI Key: | GIPYXLXYQDYSAS-UHFFFAOYSA-N |