2-(4-{[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid
Chemical Structure Depiction of
2-(4-{[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid
2-(4-{[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid
Compound characteristics
| Compound ID: | 4299-0828 |
| Compound Name: | 2-(4-{[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid |
| Molecular Weight: | 394.38 |
| Molecular Formula: | C21 H18 N2 O6 |
| Smiles: | CC(C(O)=O)Oc1ccc(/C=C2/C(NC(N(C2=O)c2cccc(C)c2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5477 |
| logD: | -1.4516 |
| logSw: | -2.8281 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.588 |
| InChI Key: | NISXBIXFMSVWGO-ZDUSSCGKSA-N |