ethyl 4-[(7,8-dimethoxy-1-oxo-1H-2-benzothiopyran-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(7,8-dimethoxy-1-oxo-1H-2-benzothiopyran-3-carbonyl)amino]benzoate
ethyl 4-[(7,8-dimethoxy-1-oxo-1H-2-benzothiopyran-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | 6451-0738 |
| Compound Name: | ethyl 4-[(7,8-dimethoxy-1-oxo-1H-2-benzothiopyran-3-carbonyl)amino]benzoate |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C21 H19 N O6 S |
| Smiles: | CCOC(c1ccc(cc1)NC(C1=Cc2ccc(c(c2C(=O)S1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1384 |
| logD: | 4.1379 |
| logSw: | -4.3933 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.424 |
| InChI Key: | SVVNMKGXSXINPW-UHFFFAOYSA-N |