2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate
Chemical Structure Depiction of
2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate
2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 3229-2801 |
| Compound Name: | 2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 2-nitrobenzene-1-sulfonate |
| Molecular Weight: | 445.41 |
| Molecular Formula: | C19 H15 N3 O8 S |
| Smiles: | CN1C(C(=Cc2ccccc2OS(c2ccccc2[N+]([O-])=O)(=O)=O)C(N(C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0557 |
| logD: | 2.0557 |
| logSw: | -2.5501 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 114.054 |
| InChI Key: | GMTRVNKTVVYVOC-UHFFFAOYSA-N |