methyl 2-[(1-oxo-1H-2-benzothiopyran-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(1-oxo-1H-2-benzothiopyran-3-carbonyl)amino]benzoate
methyl 2-[(1-oxo-1H-2-benzothiopyran-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | D443-2416 |
| Compound Name: | methyl 2-[(1-oxo-1H-2-benzothiopyran-3-carbonyl)amino]benzoate |
| Molecular Weight: | 339.37 |
| Molecular Formula: | C18 H13 N O4 S |
| Smiles: | COC(c1ccccc1NC(C1=Cc2ccccc2C(=O)S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5297 |
| logD: | 3.4566 |
| logSw: | -3.8295 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.799 |
| InChI Key: | OPDIUTXTHMQPIL-UHFFFAOYSA-N |