4-[(3-carbamoyl-6-methoxy-2H-1-benzopyran-2-ylidene)amino]benzoic acid
Chemical Structure Depiction of
4-[(3-carbamoyl-6-methoxy-2H-1-benzopyran-2-ylidene)amino]benzoic acid
4-[(3-carbamoyl-6-methoxy-2H-1-benzopyran-2-ylidene)amino]benzoic acid
Compound characteristics
| Compound ID: | K220-00344 |
| Compound Name: | 4-[(3-carbamoyl-6-methoxy-2H-1-benzopyran-2-ylidene)amino]benzoic acid |
| Molecular Weight: | 338.32 |
| Molecular Formula: | C18 H14 N2 O5 |
| Smiles: | COc1ccc2c(C=C(/C(=N/c3ccc(cc3)C(O)=O)O2)C(N)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.9833 |
| logD: | -1.4068 |
| logSw: | -2.7503 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.956 |
| InChI Key: | HTUPTNXWZDGTPO-UHFFFAOYSA-N |