4-chloro-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
4-chloro-N-{4-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}benzamide
4-chloro-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: | C679-5989 |
| Compound Name: | 4-chloro-N-{4-[(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(COc3ccc(cc3)NC(c3ccc(cc3)[Cl])=O)=CC1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 4.2506 |
| logD: | 4.2494 |
| logSw: | -4.6231 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.694 |
| InChI Key: | PUQSTNXIMUYXRT-UHFFFAOYSA-N |