2-methoxy-4-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenyl 2-nitrobenzene-1-sulfonate
Chemical Structure Depiction of
2-methoxy-4-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenyl 2-nitrobenzene-1-sulfonate
2-methoxy-4-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenyl 2-nitrobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 3202-0230 |
| Compound Name: | 2-methoxy-4-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenyl 2-nitrobenzene-1-sulfonate |
| Molecular Weight: | 537.5 |
| Molecular Formula: | C25 H19 N3 O9 S |
| Smiles: | Cc1ccc(cc1)N1C(C(=C/c2ccc(c(c2)OC)OS(c2ccccc2[N+]([O-])=O)(=O)=O)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9655 |
| logD: | 2.6625 |
| logSw: | -3.7194 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 129.95 |
| InChI Key: | FBVBZBOZOYWLCO-UHFFFAOYSA-N |