4-methyl-3-(5-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
4-methyl-3-(5-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
4-methyl-3-(5-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 4299-0822 |
| Compound Name: | 4-methyl-3-(5-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 430.42 |
| Molecular Formula: | C24 H18 N2 O6 |
| Smiles: | Cc1ccc(cc1)N1C(C(=C/c2ccc(c3cc(ccc3C)C(O)=O)o2)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3594 |
| logD: | 1.2654 |
| logSw: | -4.2238 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.369 |
| InChI Key: | VKLQENKPIXWDGP-UHFFFAOYSA-N |