Formula |
C26H29ClN4O4S |
IUPAC Name |
(1r,2s,4r)-4-[(6-chloro-2-naphthyl)sulfonyl]-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazine-2-carboxylic acid |
Molecular Mass |
529.051 g·mol−1 |
Heat of Formation |
-405.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.53 ± 1.08 D |
Volume |
601.11 Å 3 |
Surface Area |
497.48 Å 2 |
HOMO Energy |
-8.39 ± 0.55 eV |
LUMO Energy |
-1.79 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- (2s)-4-(6-chloronaphthalen-2-yl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylic acid
- (2s)-4-[(6-chloro-2-naphthyl)sulfonyl]-1-[[1-(4-pyridyl)-4-piperidinyl]methyl]-2-piperazinecarboxylic acid
- (2s)-4-[(6-chloro-2-naphthyl)sulfonyl]-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazine-2-carboxylic acid
- 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl] methyl]-2-piperazinecarboxylic acid
- xmg
|
InChIKey |
QLUPDKQDBWRPGQ-VWLOTQADSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
C
Cl
H
O
N
S
|
|
|