4-({2-[3-(benzylsulfanyl)-2-(3,5-dinitrobenzamido)propanoyl]hydrazinylidene}methyl)phenyl acetate
Chemical Structure Depiction of
4-({2-[3-(benzylsulfanyl)-2-(3,5-dinitrobenzamido)propanoyl]hydrazinylidene}methyl)phenyl acetate
4-({2-[3-(benzylsulfanyl)-2-(3,5-dinitrobenzamido)propanoyl]hydrazinylidene}methyl)phenyl acetate
Compound characteristics
| Compound ID: | 8003-8712 |
| Compound Name: | 4-({2-[3-(benzylsulfanyl)-2-(3,5-dinitrobenzamido)propanoyl]hydrazinylidene}methyl)phenyl acetate |
| Molecular Weight: | 565.56 |
| Molecular Formula: | C26 H23 N5 O8 S |
| Smiles: | CC(=O)Oc1ccc(/C=N/NC(C(CSCc2ccccc2)NC(c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7201 |
| logD: | 3.7187 |
| logSw: | -4.0839 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 147.112 |
| InChI Key: | NFNHYAQBGLWRNR-DEOSSOPVSA-N |