4-({4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzoic acid
Chemical Structure Depiction of
4-({4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzoic acid
4-({4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzoic acid
Compound characteristics
| Compound ID: | K783-5711 |
| Compound Name: | 4-({4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzoic acid |
| Molecular Weight: | 389.38 |
| Molecular Formula: | C23 H16 F N O4 |
| Smiles: | C(c1cccc(c1)F)N1C(/C(=C\c2ccc(cc2)C(O)=O)Oc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9849 |
| logD: | 1.3781 |
| logSw: | -4.6868 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.441 |
| InChI Key: | ACXJVAZSULCSDS-FYJGNVAPSA-N |