4-[(7-methoxy-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-1-benzopyran-2-ylidene)amino]benzoic acid
Chemical Structure Depiction of
4-[(7-methoxy-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-1-benzopyran-2-ylidene)amino]benzoic acid
4-[(7-methoxy-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-1-benzopyran-2-ylidene)amino]benzoic acid
Compound characteristics
| Compound ID: | K220-37820 |
| Compound Name: | 4-[(7-methoxy-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-2H-1-benzopyran-2-ylidene)amino]benzoic acid |
| Molecular Weight: | 482.41 |
| Molecular Formula: | C25 H17 F3 N2 O5 |
| Smiles: | COc1ccc2C=C(/C(=N/c3ccc(cc3)C(O)=O)Oc2c1)C(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4233 |
| logD: | 2.0333 |
| logSw: | -5.537 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.988 |
| InChI Key: | YRPBHTYYDZXDDR-UHFFFAOYSA-N |