4-[(2-bromo-4-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Chemical Structure Depiction of
4-[(2-bromo-4-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
4-[(2-bromo-4-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Compound characteristics
| Compound ID: | 2817-0090 |
| Compound Name: | 4-[(2-bromo-4-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid |
| Molecular Weight: | 551.35 |
| Molecular Formula: | C26 H19 Br N2 O7 |
| Smiles: | COc1ccc(cc1)N1C(C(=C\c2ccc(c(c2)[Br])OCc2ccc(cc2)C(O)=O)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1368 |
| logD: | 1.1653 |
| logSw: | -4.5128 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.657 |
| InChI Key: | APGGYDNYNGYXGY-UHFFFAOYSA-N |