4-[(8-ethoxy-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-1-benzopyran-2-ylidene)amino]benzoic acid
Chemical Structure Depiction of
4-[(8-ethoxy-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-1-benzopyran-2-ylidene)amino]benzoic acid
4-[(8-ethoxy-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-1-benzopyran-2-ylidene)amino]benzoic acid
Compound characteristics
| Compound ID: | K220-48090 |
| Compound Name: | 4-[(8-ethoxy-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-1-benzopyran-2-ylidene)amino]benzoic acid |
| Molecular Weight: | 496.44 |
| Molecular Formula: | C26 H19 F3 N2 O5 |
| Smiles: | CCOc1cccc2C=C(/C(=N/c3ccc(cc3)C(O)=O)Oc12)C(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7289 |
| logD: | 2.3388 |
| logSw: | -5.4613 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.339 |
| InChI Key: | ASLBNAVJAIYAKX-UHFFFAOYSA-N |