2-ethyl-N-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}butanamide
Chemical Structure Depiction of
2-ethyl-N-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}butanamide
2-ethyl-N-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}butanamide
Compound characteristics
| Compound ID: | C679-5949 |
| Compound Name: | 2-ethyl-N-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}butanamide |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C23 H27 N3 O3 S |
| Smiles: | CCC(CC)C(Nc1cccc(c1)OCC1=CC(N2C3CCCCC=3SC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7293 |
| logD: | 3.7292 |
| logSw: | -3.8984 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.965 |
| InChI Key: | MKJOKEGELDYNKB-UHFFFAOYSA-N |