3-chloro-N-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}benzamide
Chemical Structure Depiction of
3-chloro-N-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}benzamide
3-chloro-N-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}benzamide
Compound characteristics
| Compound ID: | C679-5973 |
| Compound Name: | 3-chloro-N-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}benzamide |
| Molecular Weight: | 465.96 |
| Molecular Formula: | C24 H20 Cl N3 O3 S |
| Smiles: | C1CCC2=C(C1)N1C(=NC(COc3cccc(c3)NC(c3cccc(c3)[Cl])=O)=CC1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 4.4036 |
| logD: | 4.4008 |
| logSw: | -4.5644 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.694 |
| InChI Key: | IBJWQJJLTRFUPI-UHFFFAOYSA-N |