N-[3-(benzylsulfanyl)-1-{2-[(4-bromophenyl)methylidene]hydrazinyl}-1-oxopropan-2-yl]-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-[3-(benzylsulfanyl)-1-{2-[(4-bromophenyl)methylidene]hydrazinyl}-1-oxopropan-2-yl]-3,5-dinitrobenzamide
N-[3-(benzylsulfanyl)-1-{2-[(4-bromophenyl)methylidene]hydrazinyl}-1-oxopropan-2-yl]-3,5-dinitrobenzamide
Compound characteristics
Compound ID: | 8003-9118 |
Compound Name: | N-[3-(benzylsulfanyl)-1-{2-[(4-bromophenyl)methylidene]hydrazinyl}-1-oxopropan-2-yl]-3,5-dinitrobenzamide |
Molecular Weight: | 586.42 |
Molecular Formula: | C24 H20 Br N5 O6 S |
Smiles: | C(C(C(N/N=C/c1ccc(cc1)[Br])=O)NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)SCc1ccccc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.0748 |
logD: | 5.0733 |
logSw: | -5.0755 |
Hydrogen bond acceptors count: | 14 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 126.361 |
InChI Key: | UBYBMJYYCDPZNJ-QFIPXVFZSA-N |