4-{5-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
4-{5-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoic acid
4-{5-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 2896-3966 |
| Compound Name: | 4-{5-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 340.29 |
| Molecular Formula: | C17 H12 N2 O6 |
| Smiles: | CN1C(C(=C/c2ccc(c3ccc(cc3)C(O)=O)o2)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3845 |
| logD: | -1.3433 |
| logSw: | -2.925 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.017 |
| InChI Key: | WRQALGRJWYGHCO-UHFFFAOYSA-N |