2-ethoxy-6-iodo-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl benzenesulfonate
Chemical Structure Depiction of
2-ethoxy-6-iodo-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl benzenesulfonate
2-ethoxy-6-iodo-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl benzenesulfonate
Compound characteristics
| Compound ID: | 3681-1196 |
| Compound Name: | 2-ethoxy-6-iodo-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl benzenesulfonate |
| Molecular Weight: | 542.3 |
| Molecular Formula: | C19 H15 I N2 O7 S |
| Smiles: | CCOc1cc(C=C2C(NC(NC2=O)=O)=O)cc(c1OS(c1ccccc1)(=O)=O)I |
| Stereo: | ACHIRAL |
| logP: | 2.6079 |
| logD: | 2.2606 |
| logSw: | -3.3087 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.788 |
| InChI Key: | CHXQDOCXRPCFFB-UHFFFAOYSA-N |