ethyl (4-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
Chemical Structure Depiction of
ethyl (4-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
ethyl (4-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
Compound characteristics
| Compound ID: | 3685-0114 |
| Compound Name: | ethyl (4-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate |
| Molecular Weight: | 473.28 |
| Molecular Formula: | C21 H17 Br N2 O6 |
| Smiles: | CCOC(COc1ccc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)[Br])=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9384 |
| logD: | 2.6354 |
| logSw: | -3.4325 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.049 |
| InChI Key: | JMPYIOPFPDEMTC-UHFFFAOYSA-N |