N-(8-chloro-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-(8-chloro-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)-3,4-dimethoxybenzamide
N-(8-chloro-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | 8629-0173 |
| Compound Name: | N-(8-chloro-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)-3,4-dimethoxybenzamide |
| Molecular Weight: | 415.85 |
| Molecular Formula: | C19 H14 Cl N3 O4 S |
| Smiles: | COc1ccc(cc1OC)C(NC1=CN=C2N(C1=O)c1ccc(cc1S2)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4275 |
| logD: | 2.4248 |
| logSw: | -3.4512 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.337 |
| InChI Key: | AKKYEUWSSRXGDK-UHFFFAOYSA-N |