4-({2,6-dibromo-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Chemical Structure Depiction of
4-({2,6-dibromo-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
4-({2,6-dibromo-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Compound characteristics
Compound ID: | 2817-0685 |
Compound Name: | 4-({2,6-dibromo-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid |
Molecular Weight: | 524.12 |
Molecular Formula: | C19 H12 Br2 N2 O6 |
Smiles: | C(c1ccc(cc1)C(O)=O)Oc1c(cc(C=C2C(NC(NC2=O)=O)=O)cc1[Br])[Br] |
Stereo: | ACHIRAL |
logP: | 3.5151 |
logD: | 0.5437 |
logSw: | -3.6883 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 98.452 |
InChI Key: | ZJYMSVVOFMVZQY-UHFFFAOYSA-N |