4-({3-[(3,5-dimethylphenyl)carbamoyl]-7-methoxy-2H-1-benzopyran-2-ylidene}amino)benzoic acid
Chemical Structure Depiction of
4-({3-[(3,5-dimethylphenyl)carbamoyl]-7-methoxy-2H-1-benzopyran-2-ylidene}amino)benzoic acid
4-({3-[(3,5-dimethylphenyl)carbamoyl]-7-methoxy-2H-1-benzopyran-2-ylidene}amino)benzoic acid
Compound characteristics
| Compound ID: | K220-11878 |
| Compound Name: | 4-({3-[(3,5-dimethylphenyl)carbamoyl]-7-methoxy-2H-1-benzopyran-2-ylidene}amino)benzoic acid |
| Molecular Weight: | 442.47 |
| Molecular Formula: | C26 H22 N2 O5 |
| Smiles: | Cc1cc(C)cc(c1)NC(C1=Cc2ccc(cc2OC/1=N/c1ccc(cc1)C(O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0731 |
| logD: | 1.683 |
| logSw: | -4.6688 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.988 |
| InChI Key: | XYGVYCYTTOCHNE-UHFFFAOYSA-N |