3-{5-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
3-{5-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoic acid
3-{5-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 2896-0071 |
| Compound Name: | 3-{5-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 402.36 |
| Molecular Formula: | C22 H14 N2 O6 |
| Smiles: | C(=C1/C(NC(N(C1=O)c1ccccc1)=O)=O)\c1ccc(c2cccc(c2)C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.246 |
| logD: | -0.2667 |
| logSw: | -3.6068 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.369 |
| InChI Key: | DHESNVROOJFDBC-UHFFFAOYSA-N |