4-{[3-(benzylcarbamoyl)-7-methoxy-2H-1-benzopyran-2-ylidene]amino}benzoic acid
Chemical Structure Depiction of
4-{[3-(benzylcarbamoyl)-7-methoxy-2H-1-benzopyran-2-ylidene]amino}benzoic acid
4-{[3-(benzylcarbamoyl)-7-methoxy-2H-1-benzopyran-2-ylidene]amino}benzoic acid
Compound characteristics
| Compound ID: | K220-06427 |
| Compound Name: | 4-{[3-(benzylcarbamoyl)-7-methoxy-2H-1-benzopyran-2-ylidene]amino}benzoic acid |
| Molecular Weight: | 428.44 |
| Molecular Formula: | C25 H20 N2 O5 |
| Smiles: | COc1ccc2C=C(/C(=N/c3ccc(cc3)C(O)=O)Oc2c1)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9493 |
| logD: | 0.5592 |
| logSw: | -4.2786 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.31 |
| InChI Key: | JLQPJDWXUYQTIE-UHFFFAOYSA-N |