4-({2-bromo-4-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Chemical Structure Depiction of
4-({2-bromo-4-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
4-({2-bromo-4-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | 2817-0082 |
| Compound Name: | 4-({2-bromo-4-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid |
| Molecular Weight: | 521.32 |
| Molecular Formula: | C25 H17 Br N2 O6 |
| Smiles: | C(c1ccc(cc1)C(O)=O)Oc1ccc(\C=C2/C(NC(N(C2=O)c2ccccc2)=O)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.0328 |
| logD: | 1.0613 |
| logSw: | -4.3457 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.113 |
| InChI Key: | BYWDLXQQOBKMBK-UHFFFAOYSA-N |