3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methylbenzoate
Chemical Structure Depiction of
3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methylbenzoate
3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methylbenzoate
Compound characteristics
| Compound ID: | 3681-1206 |
| Compound Name: | 3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methylbenzoate |
| Molecular Weight: | 350.33 |
| Molecular Formula: | C19 H14 N2 O5 |
| Smiles: | Cc1ccc(cc1)C(=O)Oc1cccc(C=C2C(NC(NC2=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.2945 |
| logD: | 1.9472 |
| logSw: | -2.9703 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.021 |
| InChI Key: | IUNYXOVATTWWOP-UHFFFAOYSA-N |