N~1~-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide
Chemical Structure Depiction of
N~1~-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide
N~1~-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide
Compound characteristics
| Compound ID: | K232-1867 |
| Compound Name: | N~1~-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-N~4~-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide |
| Molecular Weight: | 586.46 |
| Molecular Formula: | C26 H24 Br N3 O6 S |
| Smiles: | COc1ccc(CCNC(CCC(Nc2nc(cs2)C2=Cc3cc(ccc3OC2=O)[Br])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.004 |
| logD: | 2.9929 |
| logSw: | -3.5375 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.387 |
| InChI Key: | TTYVEJAEZDSHLJ-UHFFFAOYSA-N |