methyl (2-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
Chemical Structure Depiction of
methyl (2-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
methyl (2-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
Compound characteristics
| Compound ID: | 3685-0759 |
| Compound Name: | methyl (2-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate |
| Molecular Weight: | 459.25 |
| Molecular Formula: | C20 H15 Br N2 O6 |
| Smiles: | COC(COc1ccccc1\C=C1/C(NC(N(C1=O)c1ccc(cc1)[Br])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7196 |
| logD: | 2.5432 |
| logSw: | -3.2861 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.555 |
| InChI Key: | WBCIIHHVCCLPKH-UHFFFAOYSA-N |