4-tert-butyl-N-(4-cyano-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl)benzamide
Chemical Structure Depiction of
4-tert-butyl-N-(4-cyano-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl)benzamide
4-tert-butyl-N-(4-cyano-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | 8101-0085 |
| Compound Name: | 4-tert-butyl-N-(4-cyano-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl)benzamide |
| Molecular Weight: | 401.49 |
| Molecular Formula: | C23 H19 N3 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(NC1=CC(C#N)=C2N(C1=O)c1ccccc1S2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4625 |
| logD: | 3.6105 |
| logSw: | -4.2643 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.875 |
| InChI Key: | ZIYVZCUBFFPFMN-UHFFFAOYSA-N |