2-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl benzoate
Chemical Structure Depiction of
2-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl benzoate
2-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl benzoate
Compound characteristics
| Compound ID: | 8008-6571 |
| Compound Name: | 2-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl benzoate |
| Molecular Weight: | 336.3 |
| Molecular Formula: | C18 H12 N2 O5 |
| Smiles: | [H]N1C(C(=Cc2ccccc2OC(c2ccccc2)=O)C(N([H])C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7869 |
| logD: | 1.5806 |
| logSw: | -2.2453 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.108 |
| InChI Key: | QMXRFWUBRJQCMJ-UHFFFAOYSA-N |