4-[(3-{[(3-chlorophenyl)methyl]carbamoyl}-8-ethoxy-2H-1-benzopyran-2-ylidene)amino]benzoic acid
Chemical Structure Depiction of
4-[(3-{[(3-chlorophenyl)methyl]carbamoyl}-8-ethoxy-2H-1-benzopyran-2-ylidene)amino]benzoic acid
4-[(3-{[(3-chlorophenyl)methyl]carbamoyl}-8-ethoxy-2H-1-benzopyran-2-ylidene)amino]benzoic acid
Compound characteristics
| Compound ID: | K220-33475 |
| Compound Name: | 4-[(3-{[(3-chlorophenyl)methyl]carbamoyl}-8-ethoxy-2H-1-benzopyran-2-ylidene)amino]benzoic acid |
| Molecular Weight: | 476.92 |
| Molecular Formula: | C26 H21 Cl N2 O5 |
| Smiles: | CCOc1cccc2C=C(/C(=N/c3ccc(cc3)C(O)=O)Oc12)C(NCc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9522 |
| logD: | 1.5621 |
| logSw: | -4.7812 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.661 |
| InChI Key: | KTRPBMDXNHKAKA-UHFFFAOYSA-N |