N-{4-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}benzamide
Chemical Structure Depiction of
N-{4-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}benzamide
N-{4-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}benzamide
Compound characteristics
| Compound ID: | C679-5987 |
| Compound Name: | N-{4-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}benzamide |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C24 H21 N3 O3 S |
| Smiles: | C1CCC2=C(C1)N1C(=NC(COc3ccc(cc3)NC(c3ccccc3)=O)=CC1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 3.5508 |
| logD: | 3.5507 |
| logSw: | -3.8662 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.694 |
| InChI Key: | KGJUEERRNZQJLG-UHFFFAOYSA-N |