3-{[(1-benzofuran-2-carbonyl)carbamothioyl]amino}-4-methoxybenzoic acid
Chemical Structure Depiction of
3-{[(1-benzofuran-2-carbonyl)carbamothioyl]amino}-4-methoxybenzoic acid
3-{[(1-benzofuran-2-carbonyl)carbamothioyl]amino}-4-methoxybenzoic acid
Compound characteristics
| Compound ID: | 5609-0082 |
| Compound Name: | 3-{[(1-benzofuran-2-carbonyl)carbamothioyl]amino}-4-methoxybenzoic acid |
| Molecular Weight: | 370.38 |
| Molecular Formula: | C18 H14 N2 O5 S |
| Smiles: | COc1ccc(cc1NC(NC(c1cc2ccccc2o1)=O)=S)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3007 |
| logD: | 2.285 |
| logSw: | -4.3267 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.873 |
| InChI Key: | PKATVOJAZAXYKC-UHFFFAOYSA-N |