4-[(2-{4-[({4-[(4-methyl-3-nitrobenzene-1-sulfonyl)oxy]phenyl}methylidene)amino]benzoyl}hydrazinylidene)methyl]phenyl 4-methyl-3-nitrobenzene-1-sulfonate
Chemical Structure Depiction of
4-[(2-{4-[({4-[(4-methyl-3-nitrobenzene-1-sulfonyl)oxy]phenyl}methylidene)amino]benzoyl}hydrazinylidene)methyl]phenyl 4-methyl-3-nitrobenzene-1-sulfonate
4-[(2-{4-[({4-[(4-methyl-3-nitrobenzene-1-sulfonyl)oxy]phenyl}methylidene)amino]benzoyl}hydrazinylidene)methyl]phenyl 4-methyl-3-nitrobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8001-0457 |
| Compound Name: | 4-[(2-{4-[({4-[(4-methyl-3-nitrobenzene-1-sulfonyl)oxy]phenyl}methylidene)amino]benzoyl}hydrazinylidene)methyl]phenyl 4-methyl-3-nitrobenzene-1-sulfonate |
| Molecular Weight: | 757.76 |
| Molecular Formula: | C35 H27 N5 O11 S2 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Oc1ccc(/C=N/c2ccc(cc2)C(N/N=C/c2ccc(cc2)OS(c2ccc(C)c(c2)[N+]([O-])=O)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.6582 |
| logD: | 6.6421 |
| logSw: | -5.6743 |
| Hydrogen bond acceptors count: | 22 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 181.366 |
| InChI Key: | FRWCWJOFBOIIRZ-UHFFFAOYSA-N |