2-chloro-6-ethoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl benzenesulfonate
Chemical Structure Depiction of
2-chloro-6-ethoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl benzenesulfonate
2-chloro-6-ethoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl benzenesulfonate
Compound characteristics
| Compound ID: | 3681-1204 |
| Compound Name: | 2-chloro-6-ethoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl benzenesulfonate |
| Molecular Weight: | 450.85 |
| Molecular Formula: | C19 H15 Cl N2 O7 S |
| Smiles: | CCOc1cc(C=C2C(NC(NC2=O)=O)=O)cc(c1OS(c1ccccc1)(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.5358 |
| logD: | 2.1886 |
| logSw: | -3.4357 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.788 |
| InChI Key: | ANVMNULOTKTXSU-UHFFFAOYSA-N |