2-chloro-6-ethoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methoxybenzoate
Chemical Structure Depiction of
2-chloro-6-ethoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methoxybenzoate
2-chloro-6-ethoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methoxybenzoate
Compound characteristics
| Compound ID: | 3681-1215 |
| Compound Name: | 2-chloro-6-ethoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methoxybenzoate |
| Molecular Weight: | 444.83 |
| Molecular Formula: | C21 H17 Cl N2 O7 |
| Smiles: | CCOc1cc(C=C2C(NC(NC2=O)=O)=O)cc(c1OC(c1ccc(cc1)OC)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.2426 |
| logD: | 2.8953 |
| logSw: | -3.8658 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.948 |
| InChI Key: | QBFBCLMKJPXPQZ-UHFFFAOYSA-N |