{2-bromo-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid
Chemical Structure Depiction of
{2-bromo-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid
{2-bromo-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid
Compound characteristics
Compound ID: | 2817-0146 |
Compound Name: | {2-bromo-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid |
Molecular Weight: | 369.13 |
Molecular Formula: | C13 H9 Br N2 O6 |
Smiles: | C(C(O)=O)Oc1ccc(C=C2C(NC(NC2=O)=O)=O)cc1[Br] |
Stereo: | ACHIRAL |
logP: | 0.6751 |
logD: | -3.5619 |
logSw: | -1.9549 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 98.613 |
InChI Key: | WZGHXEZBJANHMZ-UHFFFAOYSA-N |