N-[3-(benzylsulfanyl)-1-{2-[(3-methoxy-4-methylphenyl)methylidene]hydrazinyl}-1-oxopropan-2-yl]-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-[3-(benzylsulfanyl)-1-{2-[(3-methoxy-4-methylphenyl)methylidene]hydrazinyl}-1-oxopropan-2-yl]-3,5-dinitrobenzamide
N-[3-(benzylsulfanyl)-1-{2-[(3-methoxy-4-methylphenyl)methylidene]hydrazinyl}-1-oxopropan-2-yl]-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 8003-8690 |
| Compound Name: | N-[3-(benzylsulfanyl)-1-{2-[(3-methoxy-4-methylphenyl)methylidene]hydrazinyl}-1-oxopropan-2-yl]-3,5-dinitrobenzamide |
| Molecular Weight: | 551.58 |
| Molecular Formula: | C26 H25 N5 O7 S |
| Smiles: | Cc1ccc(/C=N/NC(C(CSCc2ccccc2)NC(c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8392 |
| logD: | 4.8385 |
| logSw: | -4.7471 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 133.991 |
| InChI Key: | VRKVGRUOHQXMIA-QHCPKHFHSA-N |