Formula |
C23H33N5O2 |
IUPAC Name |
n-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-propylpiperazin-1-yl)benzamide |
Molecular Mass |
411.540 g·mol−1 |
Heat of Formation |
-186.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.12 ± 1.08 D |
Volume |
520.52 Å 3 |
Surface Area |
447.3 Å 2 |
HOMO Energy |
-8.68 ± 0.55 eV |
LUMO Energy |
-0.36 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- n-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-propylpiperazin-1-yl)benzamide
- n-[1-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-(4-propyl-1-piperazinyl)benzamide
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InChIKey |
LLCRBOWRJOUJAE-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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