N-(4-cyano-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl)-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-(4-cyano-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl)-3,4-dimethoxybenzamide
N-(4-cyano-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl)-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | 8629-0187 |
| Compound Name: | N-(4-cyano-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl)-3,4-dimethoxybenzamide |
| Molecular Weight: | 405.43 |
| Molecular Formula: | C21 H15 N3 O4 S |
| Smiles: | COc1ccc(cc1OC)C(NC1=CC(C#N)=C2N(C1=O)c1ccccc1S2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2922 |
| logD: | 2.0896 |
| logSw: | -3.0318 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.136 |
| InChI Key: | DYFIZJZZBAGZMH-UHFFFAOYSA-N |