4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzoic acid
Chemical Structure Depiction of
4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzoic acid
4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzoic acid
Compound characteristics
| Compound ID: | K783-6680 |
| Compound Name: | 4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzoic acid |
| Molecular Weight: | 385.42 |
| Molecular Formula: | C24 H19 N O4 |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccc(cc3)C(O)=O)Oc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5093 |
| logD: | 1.9025 |
| logSw: | -5.3329 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.441 |
| InChI Key: | TWELRYZKTJSEAC-UHFFFAOYSA-N |