4-tert-butyl-N-{2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}benzamide
Chemical Structure Depiction of
4-tert-butyl-N-{2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}benzamide
4-tert-butyl-N-{2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}benzamide
Compound characteristics
| Compound ID: | C679-5915 |
| Compound Name: | 4-tert-butyl-N-{2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}benzamide |
| Molecular Weight: | 487.62 |
| Molecular Formula: | C28 H29 N3 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1ccccc1OCC1=CC(N2C3CCCCC=3SC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6042 |
| logD: | 5.6018 |
| logSw: | -5.4115 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.083 |
| InChI Key: | XIMMSDQEGJBDIW-UHFFFAOYSA-N |