4-({2-bromo-4-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Chemical Structure Depiction of
4-({2-bromo-4-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
4-({2-bromo-4-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | 2817-0081 |
| Compound Name: | 4-({2-bromo-4-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid |
| Molecular Weight: | 459.25 |
| Molecular Formula: | C20 H15 Br N2 O6 |
| Smiles: | CN1C(C(=C\c2ccc(c(c2)[Br])OCc2ccc(cc2)C(O)=O)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1121 |
| logD: | 0.1406 |
| logSw: | -3.3099 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.762 |
| InChI Key: | GLXAOLSTAUCTFM-UHFFFAOYSA-N |