4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl benzenesulfonate
Chemical Structure Depiction of
4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl benzenesulfonate
4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl benzenesulfonate
Compound characteristics
| Compound ID: | 3202-0231 |
| Compound Name: | 4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl benzenesulfonate |
| Molecular Weight: | 430.43 |
| Molecular Formula: | C20 H18 N2 O7 S |
| Smiles: | CN1C(C(=Cc2ccc(c(c2)OC)OS(c2ccccc2)(=O)=O)C(N(C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1899 |
| logD: | 2.1899 |
| logSw: | -2.7819 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 88.604 |
| InChI Key: | KSYWUBKCZRMKLU-UHFFFAOYSA-N |