2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl benzenesulfonate
Chemical Structure Depiction of
2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl benzenesulfonate
2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl benzenesulfonate
Compound characteristics
| Compound ID: | 3229-2341 |
| Compound Name: | 2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl benzenesulfonate |
| Molecular Weight: | 400.41 |
| Molecular Formula: | C19 H16 N2 O6 S |
| Smiles: | CN1C(C(=Cc2ccccc2OS(c2ccccc2)(=O)=O)C(N(C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3525 |
| logD: | 2.3525 |
| logSw: | -2.7243 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.974 |
| InChI Key: | SHUCYIMORGELOY-UHFFFAOYSA-N |