4-({4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
Chemical Structure Depiction of
4-({4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
4-({4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | 3970-1201 |
| Compound Name: | 4-({4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid |
| Molecular Weight: | 424.41 |
| Molecular Formula: | C22 H20 N2 O7 |
| Smiles: | CN1C(C(=Cc2ccc(c(c2)OC)OCc2ccc(cc2)C(O)=O)C(N(C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7282 |
| logD: | -0.2433 |
| logSw: | -2.9083 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.478 |
| InChI Key: | KRMGHDDSZAWAAP-UHFFFAOYSA-N |