4-{[2,6-dibromo-4-({2,4,6-trioxo-1-[4-(propan-2-yl)phenyl]-1,3-diazinan-5-ylidene}methyl)phenoxy]methyl}benzoic acid
Chemical Structure Depiction of
4-{[2,6-dibromo-4-({2,4,6-trioxo-1-[4-(propan-2-yl)phenyl]-1,3-diazinan-5-ylidene}methyl)phenoxy]methyl}benzoic acid
4-{[2,6-dibromo-4-({2,4,6-trioxo-1-[4-(propan-2-yl)phenyl]-1,3-diazinan-5-ylidene}methyl)phenoxy]methyl}benzoic acid
Compound characteristics
| Compound ID: | 2817-0692 |
| Compound Name: | 4-{[2,6-dibromo-4-({2,4,6-trioxo-1-[4-(propan-2-yl)phenyl]-1,3-diazinan-5-ylidene}methyl)phenoxy]methyl}benzoic acid |
| Molecular Weight: | 642.3 |
| Molecular Formula: | C28 H22 Br2 N2 O6 |
| Smiles: | CC(C)c1ccc(cc1)N1C(C(=C\c2cc(c(c(c2)[Br])OCc2ccc(cc2)C(O)=O)[Br])\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3598 |
| logD: | 3.3883 |
| logSw: | -5.4796 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.2 |
| InChI Key: | JDYLBFLJPKGYSD-UHFFFAOYSA-N |