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
N-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}butanamide
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: | C679-5941 |
| Compound Name: | N-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}butanamide |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | CCCC(Nc1cccc(c1)OCC1=CC(N2C3CCCCC=3SC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.096 |
| logD: | 3.096 |
| logSw: | -3.3942 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.752 |
| InChI Key: | CNRZGULKEWCUCY-UHFFFAOYSA-N |