Formula |
C32H41N5O5S2 |
IUPAC Name |
n-[4-[[(1r)-3-(dimethylamino)-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-phenyl]sulfonyl-4-(4,4-dimethyl-1-piperidyl)benzamide |
Molecular Mass |
639.828 g·mol−1 |
Heat of Formation |
-356.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.38 ± 1.08 D |
Volume |
749.37 Å 3 |
Surface Area |
632.53 Å 2 |
HOMO Energy |
-8.43 ± 0.55 eV |
LUMO Energy |
-0.92 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- n-[4-[[(1r)-3-dimethylamino-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-phenyl]sulfonyl-4-(4,4-dimethyl-1-piperidyl)benzamide
- n-[4-[[(1r)-3-dimethylamino-1-[(phenylthio)methyl]propyl]amino]-3-nitro-phenyl]sulfonyl-4-(4,4-dimethyl-1-piperidyl)benzamide
- n-[4-[[(1r)-3-dimethylamino-1-[(phenylthio)methyl]propyl]amino]-3-nitrophenyl]sulfonyl-4-(4,4-dimethyl-1-piperidinyl)benzamide
- n-[4-[[(2r)-4-dimethylamino-1-phenylsulfanyl-butan-2-yl]amino]-3-nitro-phenyl]sulfonyl-4-(4,4-dimethylpiperidin-1-yl)benzamide
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InChIKey |
DWEHITNKTMMZBR-RUZDIDTESA-N |
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Links |
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Elements |
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