4-[(3-carbamoyl-8-methoxy-2H-1-benzopyran-2-ylidene)amino]benzoic acid
Chemical Structure Depiction of
4-[(3-carbamoyl-8-methoxy-2H-1-benzopyran-2-ylidene)amino]benzoic acid
4-[(3-carbamoyl-8-methoxy-2H-1-benzopyran-2-ylidene)amino]benzoic acid
Compound characteristics
| Compound ID: | K220-00186 |
| Compound Name: | 4-[(3-carbamoyl-8-methoxy-2H-1-benzopyran-2-ylidene)amino]benzoic acid |
| Molecular Weight: | 338.32 |
| Molecular Formula: | C18 H14 N2 O5 |
| Smiles: | COc1cccc2C=C(/C(=N/c3ccc(cc3)C(O)=O)Oc12)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8707 |
| logD: | -1.5194 |
| logSw: | -2.6203 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.727 |
| InChI Key: | NBPFDJBBRAAQJD-UHFFFAOYSA-N |