2-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methylbenzoate
Chemical Structure Depiction of
2-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methylbenzoate
2-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methylbenzoate
Compound characteristics
| Compound ID: | 3681-1207 |
| Compound Name: | 2-[(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)Oc1ccccc1C=C1C(NC(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3154 |
| logD: | 2.1091 |
| logSw: | -2.9777 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.108 |
| InChI Key: | IHSHIBYGISSTKF-UHFFFAOYSA-N |