4-(5-{[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
4-(5-{[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
4-(5-{[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 8010-7879 |
| Compound Name: | 4-(5-{[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 416.39 |
| Molecular Formula: | C23 H16 N2 O6 |
| Smiles: | Cc1cccc(c1)N1C(C(=C\c2ccc(c3ccc(cc3)C(O)=O)o2)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9253 |
| logD: | 0.1975 |
| logSw: | -3.9887 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.369 |
| InChI Key: | NHLXCIIGHLIFCK-UHFFFAOYSA-N |