2-ethyl-N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)butanamide
Chemical Structure Depiction of
2-ethyl-N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)butanamide
2-ethyl-N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)butanamide
Compound characteristics
| Compound ID: | G072-1554 |
| Compound Name: | 2-ethyl-N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)butanamide |
| Molecular Weight: | 441.61 |
| Molecular Formula: | C23 H27 N3 O2 S2 |
| Smiles: | CCC(CC)C(Nc1ccccc1SCC1=CC(N2C3CCCCC=3SC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1575 |
| logD: | 4.1575 |
| logSw: | -4.0745 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.768 |
| InChI Key: | KRCWHZNYSZBMGW-UHFFFAOYSA-N |