4-[4-(2-Biphenylylmethyl)-1-Piperazinyl]-N-[(4-{[2-Methyl-1-(Phenylsulfanyl)-2-Propanyl]Amino}-3-Nitrophenyl)Sulfonyl]Benzamide

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Properties Simple | Detailed

Formula C40H41N5O5S2
IUPAC Name n-[4-[(1,1-dimethyl-2-phenylsulfanyl-ethyl)amino]-3-nitro-phenyl]sulfonyl-4-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]benzamide
Molecular Mass 735.914 g·mol−1
Heat of Formation -95.7 ± 16.7 kJ·mol−1
Dipole Moment 10.93 ± 1.08 D
Volume 868.68 Å 3
Surface Area 600.0 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
Synonyms
  • liw
  • n-[4-[(1,1-dimethyl-2-phenylsulfanyl-ethyl)amino]-3-nitro-phenyl]sulfonyl-4-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]benzamide
  • n-[4-[(2-methyl-1-phenylsulfanyl-propan-2-yl)amino]-3-nitro-phenyl]sulfonyl-4-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]benzamide
  • n-[4-[[1,1-dimethyl-2-(phenylthio)ethyl]amino]-3-nitro-phenyl]sulfonyl-4-[4-(2-phenylbenzyl)piperazin-1-yl]benzamide
  • n-[4-[[1,1-dimethyl-2-(phenylthio)ethyl]amino]-3-nitrophenyl]sulfonyl-4-[4-[(2-phenylphenyl)methyl]-1-piperazinyl]benzamide
InChIKey QASBRWUYQCIPKZ-UHFFFAOYSA-N
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