2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate
Chemical Structure Depiction of
2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate
2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 3202-0229 |
| Compound Name: | 2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate |
| Molecular Weight: | 447.38 |
| Molecular Formula: | C18 H13 N3 O9 S |
| Smiles: | COc1cc(C=C2C(NC(NC2=O)=O)=O)ccc1OS(c1ccccc1[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0357 |
| logD: | 0.6884 |
| logSw: | -2.4289 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 139.202 |
| InChI Key: | JUGNLDZUHDZMFL-UHFFFAOYSA-N |