N'-(4-chloro-3-nitrobenzoyl)-3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzohydrazide
Chemical Structure Depiction of
N'-(4-chloro-3-nitrobenzoyl)-3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzohydrazide
N'-(4-chloro-3-nitrobenzoyl)-3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzohydrazide
Compound characteristics
| Compound ID: | K781-2723 |
| Compound Name: | N'-(4-chloro-3-nitrobenzoyl)-3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzohydrazide |
| Molecular Weight: | 480.88 |
| Molecular Formula: | C19 H17 Cl N4 O7 S |
| Smiles: | C1CC(CSc2ccc(cc2[N+]([O-])=O)C(NNC(c2ccc(c(c2)[N+]([O-])=O)[Cl])=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1557 |
| logD: | 2.7659 |
| logSw: | -3.6964 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 125.979 |
| InChI Key: | SIAXQQSYNSUYCY-CYBMUJFWSA-N |