2-(4-{[1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid
Chemical Structure Depiction of
2-(4-{[1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid
2-(4-{[1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid
Compound characteristics
| Compound ID: | 3699-2234 |
| Compound Name: | 2-(4-{[1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid |
| Molecular Weight: | 424.37 |
| Molecular Formula: | C21 H16 N2 O8 |
| Smiles: | CC(C(O)=O)Oc1ccc(\C=C2/C(NC(N(C2=O)c2ccc3c(c2)OCO3)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0052 |
| logD: | -1.9942 |
| logSw: | -2.777 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.703 |
| InChI Key: | HSNFDVHQWJDGPX-NSHDSACASA-N |