ethyl (2-{[1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
Chemical Structure Depiction of
ethyl (2-{[1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
ethyl (2-{[1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
Compound characteristics
| Compound ID: | 3970-1291 |
| Compound Name: | ethyl (2-{[1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate |
| Molecular Weight: | 487.31 |
| Molecular Formula: | C22 H19 Br N2 O6 |
| Smiles: | CCOC(COc1ccccc1\C=C1/C(NC(N(C1=O)c1ccc(c(C)c1)[Br])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6712 |
| logD: | 3.6316 |
| logSw: | -3.888 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.135 |
| InChI Key: | NGNMNSDNKZOFDH-UHFFFAOYSA-N |