4-chloro-N'-(4-{[(2-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitrobenzohydrazide
Chemical Structure Depiction of
4-chloro-N'-(4-{[(2-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitrobenzohydrazide
4-chloro-N'-(4-{[(2-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitrobenzohydrazide
Compound characteristics
| Compound ID: | K781-2707 |
| Compound Name: | 4-chloro-N'-(4-{[(2-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitrobenzohydrazide |
| Molecular Weight: | 504.88 |
| Molecular Formula: | C21 H14 Cl F N4 O6 S |
| Smiles: | C(c1ccccc1F)Sc1ccc(cc1[N+]([O-])=O)C(NNC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7349 |
| logD: | 4.3451 |
| logSw: | -5.0686 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.324 |
| InChI Key: | KKPANQXZZDJRIK-UHFFFAOYSA-N |