4-[(2-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Chemical Structure Depiction of
4-[(2-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
4-[(2-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Compound characteristics
| Compound ID: | 4490-0999 |
| Compound Name: | 4-[(2-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid |
| Molecular Weight: | 456.45 |
| Molecular Formula: | C26 H20 N2 O6 |
| Smiles: | Cc1ccc(cc1)N1C(C(=C\c2ccccc2OCc2ccc(cc2)C(O)=O)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3223 |
| logD: | 1.3508 |
| logSw: | -4.5334 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.113 |
| InChI Key: | LICHYHVGCGPWBN-UHFFFAOYSA-N |