methyl (2-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
Chemical Structure Depiction of
methyl (2-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
methyl (2-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate
Compound characteristics
| Compound ID: | 4058-0017 |
| Compound Name: | methyl (2-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetate |
| Molecular Weight: | 394.38 |
| Molecular Formula: | C21 H18 N2 O6 |
| Smiles: | Cc1ccc(cc1)N1C(C(=C/c2ccccc2OCC(=O)OC)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3091 |
| logD: | 2.1327 |
| logSw: | -2.835 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.555 |
| InChI Key: | ODAKOQGHDIFQJK-UHFFFAOYSA-N |