4-{5-[(5-methylfuran-2-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl}benzoic acid
Chemical Structure Depiction of
4-{5-[(5-methylfuran-2-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl}benzoic acid
4-{5-[(5-methylfuran-2-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 8012-6181 |
| Compound Name: | 4-{5-[(5-methylfuran-2-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl}benzoic acid |
| Molecular Weight: | 340.29 |
| Molecular Formula: | C17 H12 N2 O6 |
| Smiles: | Cc1ccc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)C(O)=O)=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 1.9571 |
| logD: | -0.4381 |
| logSw: | -2.5468 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.062 |
| InChI Key: | VULXEAWBUOZGKS-UHFFFAOYSA-N |