2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl benzenesulfonate
Chemical Structure Depiction of
2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl benzenesulfonate
2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl benzenesulfonate
Compound characteristics
| Compound ID: | 3202-0228 |
| Compound Name: | 2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl benzenesulfonate |
| Molecular Weight: | 402.38 |
| Molecular Formula: | C18 H14 N2 O7 S |
| Smiles: | COc1cc(C=C2C(NC(NC2=O)=O)=O)ccc1OS(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3325 |
| logD: | 0.9852 |
| logSw: | -2.3176 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.122 |
| InChI Key: | FCKKJKZOLQEFJA-UHFFFAOYSA-N |