N'-(4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzohydrazide
Chemical Structure Depiction of
N'-(4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzohydrazide
N'-(4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzohydrazide
Compound characteristics
| Compound ID: | K781-2671 |
| Compound Name: | N'-(4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzohydrazide |
| Molecular Weight: | 582.65 |
| Molecular Formula: | C27 H26 N4 O7 S2 |
| Smiles: | Cc1ccc(CSc2ccc(cc2[N+]([O-])=O)C(NNC(c2ccc(c(c2)[N+]([O-])=O)SCC2CCCO2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1077 |
| logD: | 5.0555 |
| logSw: | -4.9838 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 125.707 |
| InChI Key: | PJVLZBFBZDIFIL-OAQYLSRUSA-N |