4-[(2-bromo-4-{[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Chemical Structure Depiction of
4-[(2-bromo-4-{[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
4-[(2-bromo-4-{[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Compound characteristics
| Compound ID: | 2817-0087 |
| Compound Name: | 4-[(2-bromo-4-{[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid |
| Molecular Weight: | 539.31 |
| Molecular Formula: | C25 H16 Br F N2 O6 |
| Smiles: | C(c1ccc(cc1)C(O)=O)Oc1ccc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)F)=O)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.1835 |
| logD: | 1.212 |
| logSw: | -4.5354 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.113 |
| InChI Key: | SJZJAFPPQWCJBW-UHFFFAOYSA-N |