2-chloro-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methoxybenzoate
Chemical Structure Depiction of
2-chloro-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methoxybenzoate
2-chloro-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methoxybenzoate
Compound characteristics
| Compound ID: | 3681-1212 |
| Compound Name: | 2-chloro-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methoxybenzoate |
| Molecular Weight: | 400.77 |
| Molecular Formula: | C19 H13 Cl N2 O6 |
| Smiles: | COc1ccc(cc1)C(=O)Oc1ccc(C=C2C(NC(NC2=O)=O)=O)cc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.5134 |
| logD: | 2.1662 |
| logSw: | -3.5519 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.651 |
| InChI Key: | YIJUKYJSZMJVPY-UHFFFAOYSA-N |