4-{[(3-fluorophenyl)methyl]sulfanyl}-N'-(4-{[(2-methylphenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitrobenzohydrazide
Chemical Structure Depiction of
4-{[(3-fluorophenyl)methyl]sulfanyl}-N'-(4-{[(2-methylphenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitrobenzohydrazide
4-{[(3-fluorophenyl)methyl]sulfanyl}-N'-(4-{[(2-methylphenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitrobenzohydrazide
Compound characteristics
| Compound ID: | K781-2672 |
| Compound Name: | 4-{[(3-fluorophenyl)methyl]sulfanyl}-N'-(4-{[(2-methylphenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitrobenzohydrazide |
| Molecular Weight: | 606.65 |
| Molecular Formula: | C29 H23 F N4 O6 S2 |
| Smiles: | Cc1ccccc1CSc1ccc(cc1[N+]([O-])=O)C(NNC(c1ccc(c(c1)[N+]([O-])=O)SCc1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1767 |
| logD: | 7.1245 |
| logSw: | -5.627 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.053 |
| InChI Key: | JWVSBKMAFUMDMZ-UHFFFAOYSA-N |