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
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Synonyms
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- 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
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InChIKey |
QASBRWUYQCIPKZ-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
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N
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