4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl 2-nitrobenzene-1-sulfonate
Chemical Structure Depiction of
4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl 2-nitrobenzene-1-sulfonate
4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl 2-nitrobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 3202-0232 |
| Compound Name: | 4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl 2-nitrobenzene-1-sulfonate |
| Molecular Weight: | 475.43 |
| Molecular Formula: | C20 H17 N3 O9 S |
| Smiles: | CN1C(C(=Cc2ccc(c(c2)OC)OS(c2ccccc2[N+]([O-])=O)(=O)=O)C(N(C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8931 |
| logD: | 1.8931 |
| logSw: | -2.6101 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 121.685 |
| InChI Key: | QRHJCJOTZUONRN-UHFFFAOYSA-N |