4-{[2-bromo-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-bromo-4-({2,4,6-trioxo-1-[4-(propan-2-yl)phenyl]-1,3-diazinan-5-ylidene}methyl)phenoxy]methyl}benzoic acid
4-{[2-bromo-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: | 2817-0086 |
| Compound Name: | 4-{[2-bromo-4-({2,4,6-trioxo-1-[4-(propan-2-yl)phenyl]-1,3-diazinan-5-ylidene}methyl)phenoxy]methyl}benzoic acid |
| Molecular Weight: | 563.4 |
| Molecular Formula: | C28 H23 Br N2 O6 |
| Smiles: | CC(C)c1ccc(cc1)N1C(C(=C\c2ccc(c(c2)[Br])OCc2ccc(cc2)C(O)=O)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4926 |
| logD: | 2.5211 |
| logSw: | -5.4403 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.113 |
| InChI Key: | RTRMZNAYCDNFBA-UHFFFAOYSA-N |