Formula |
C26H29ClN4O4S |
IUPAC Name |
(4s)-4-[(6-chloro-2-naphthyl)sulfonyl]-1-[[4-(hydroxymethyl)-1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one |
Molecular Mass |
529.051 g·mol−1 |
Heat of Formation |
-470.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.03 ± 1.08 D |
Volume |
592.34 Å 3 |
Surface Area |
434.36 Å 2 |
HOMO Energy |
-8.71 ± 0.55 eV |
LUMO Energy |
1.68 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-(6-chloronaphthalen-2-yl)sulfonyl-1-[[4-(hydroxymethyl)-1-pyridin-4-yl-piperidin-4-yl]methyl]piperazin-2-one
- 4-(6-chloronaphthalen-2-yl)sulfonyl-1-[[4-(hydroxymethyl)-1-pyridin-4-ylpiperidin-4-yl]methyl]piperazin-2-one
- 4-[(6-chloro-2-naphthyl)sulfonyl]-1-[[4-(hydroxymethyl)-1-(4-pyridyl)-4-piperidinyl]methyl]-2-piperazinone
- 4-[(6-chloro-2-naphthyl)sulfonyl]-1-[[4-(hydroxymethyl)-1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one
- 4-[(6-chloro-2-naphthyl)sulfonyl]-1-[[4-methylol-1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one
- xmf
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InChIKey |
ZRGAURKJCJQBQS-UHFFFAOYSA-N |
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Links |
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Elements |
C
Cl
H
O
N
S
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