2-[(4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid
Chemical Structure Depiction of
2-[(4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid
2-[(4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid
Compound characteristics
| Compound ID: | C798-1403 |
| Compound Name: | 2-[(4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid |
| Molecular Weight: | 311.29 |
| Molecular Formula: | C17 H13 N O5 |
| Smiles: | COc1ccc(\C=C2/C(Nc3cc(ccc3O2)C(O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.321 |
| logD: | 1.3053 |
| logSw: | -3.5755 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.76 |
| InChI Key: | IGBDSFCMXVGRTR-UHFFFAOYSA-N |