N-(4-cyano-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl)-2-methylbenzamide
Chemical Structure Depiction of
N-(4-cyano-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl)-2-methylbenzamide
N-(4-cyano-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl)-2-methylbenzamide
Compound characteristics
| Compound ID: | 8629-0179 |
| Compound Name: | N-(4-cyano-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl)-2-methylbenzamide |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C20 H13 N3 O2 S |
| Smiles: | Cc1ccccc1C(NC1=CC(C#N)=C2N(C1=O)c1ccccc1S2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.887 |
| logD: | 1.6374 |
| logSw: | -3.7177 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.875 |
| InChI Key: | YHLKVLBIZLWPAC-UHFFFAOYSA-N |