methyl (4-{[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetate
Chemical Structure Depiction of
methyl (4-{[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetate
methyl (4-{[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetate
Compound characteristics
| Compound ID: | 3685-1240 |
| Compound Name: | methyl (4-{[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetate |
| Molecular Weight: | 489.28 |
| Molecular Formula: | C21 H17 Br N2 O7 |
| Smiles: | COC(COc1ccc(\C=C2/C(NC(N(C2=O)c2cccc(c2)[Br])=O)=O)cc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1575 |
| logD: | 1.1672 |
| logSw: | -3.0112 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.186 |
| InChI Key: | HJYHBFGYSZVDOY-UHFFFAOYSA-N |