2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methylbenzene-1-sulfonate
2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 3202-0358 |
| Compound Name: | 2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 414.44 |
| Molecular Formula: | C20 H18 N2 O6 S |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1ccccc1C=C1C(N(C)C(N(C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.961 |
| logD: | 2.961 |
| logSw: | -3.4376 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.974 |
| InChI Key: | GLVAIKAHDLWBCH-UHFFFAOYSA-N |