methyl 4-({2-[3-(benzylsulfanyl)-2-(3,5-dinitrobenzamido)propanoyl]hydrazinylidene}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({2-[3-(benzylsulfanyl)-2-(3,5-dinitrobenzamido)propanoyl]hydrazinylidene}methyl)benzoate
methyl 4-({2-[3-(benzylsulfanyl)-2-(3,5-dinitrobenzamido)propanoyl]hydrazinylidene}methyl)benzoate
Compound characteristics
| Compound ID: | 8003-8698 |
| Compound Name: | methyl 4-({2-[3-(benzylsulfanyl)-2-(3,5-dinitrobenzamido)propanoyl]hydrazinylidene}methyl)benzoate |
| Molecular Weight: | 565.56 |
| Molecular Formula: | C26 H23 N5 O8 S |
| Smiles: | COC(c1ccc(/C=N/NC(C(CSCc2ccccc2)NC(c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=O)=O)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3316 |
| logD: | 4.3302 |
| logSw: | -4.3816 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 147.535 |
| InChI Key: | FRUGKGBXDKPKLQ-QHCPKHFHSA-N |