2-(4-{[1-(2,4-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid
Chemical Structure Depiction of
2-(4-{[1-(2,4-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid
2-(4-{[1-(2,4-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid
Compound characteristics
| Compound ID: | 3636-0532 |
| Compound Name: | 2-(4-{[1-(2,4-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid |
| Molecular Weight: | 449.25 |
| Molecular Formula: | C20 H14 Cl2 N2 O6 |
| Smiles: | CC(C(O)=O)Oc1ccc(\C=C2/C(NC(N(C2=O)c2ccc(cc2[Cl])[Cl])=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2811 |
| logD: | -0.7182 |
| logSw: | -3.6003 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.287 |
| InChI Key: | QBNRXLOFIVAIOK-JTQLQIEISA-N |