2-(4-{[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid
Chemical Structure Depiction of
2-(4-{[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid
2-(4-{[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid
Compound characteristics
| Compound ID: | 3699-1112 |
| Compound Name: | 2-(4-{[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid |
| Molecular Weight: | 408.41 |
| Molecular Formula: | C22 H20 N2 O6 |
| Smiles: | CCc1ccc(cc1)N1C(C(=C\c2ccc(cc2)OC(C)C(O)=O)\C(NC1=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.98 |
| logD: | -1.0194 |
| logSw: | -3.3584 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.588 |
| InChI Key: | UNLLRSTZQFSXME-ZDUSSCGKSA-N |