N-[3-(benzylsulfanyl)-1-{2-[(4-nitrophenyl)methylidene]hydrazinyl}-1-oxopropan-2-yl]-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-[3-(benzylsulfanyl)-1-{2-[(4-nitrophenyl)methylidene]hydrazinyl}-1-oxopropan-2-yl]-3,5-dinitrobenzamide
N-[3-(benzylsulfanyl)-1-{2-[(4-nitrophenyl)methylidene]hydrazinyl}-1-oxopropan-2-yl]-3,5-dinitrobenzamide
Compound characteristics
Compound ID: | 8003-8659 |
Compound Name: | N-[3-(benzylsulfanyl)-1-{2-[(4-nitrophenyl)methylidene]hydrazinyl}-1-oxopropan-2-yl]-3,5-dinitrobenzamide |
Molecular Weight: | 552.52 |
Molecular Formula: | C24 H20 N6 O8 S |
Smiles: | C(C(C(N/N=C/c1ccc(cc1)[N+]([O-])=O)=O)NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)SCc1ccccc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.1665 |
logD: | 4.1651 |
logSw: | -4.3246 |
Hydrogen bond acceptors count: | 18 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 159.742 |
InChI Key: | YVURGHGXKYDICL-QFIPXVFZSA-N |