N'-(4-{[(3-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzohydrazide
Chemical Structure Depiction of
N'-(4-{[(3-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzohydrazide
N'-(4-{[(3-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzohydrazide
Compound characteristics
| Compound ID: | K781-2695 |
| Compound Name: | N'-(4-{[(3-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzohydrazide |
| Molecular Weight: | 586.62 |
| Molecular Formula: | C26 H23 F N4 O7 S2 |
| Smiles: | C1CC(CSc2ccc(cc2[N+]([O-])=O)C(NNC(c2ccc(c(c2)[N+]([O-])=O)SCc2cccc(c2)F)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.084 |
| logD: | 5.0318 |
| logSw: | -5.3902 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 125.707 |
| InChI Key: | MNCPYAHHLAPCEJ-HXUWFJFHSA-N |