Formula |
C21H21F7N2O3S |
IUPAC Name |
(2r)-1,1,1-trifluoro-2-[3-[(1r,2r,4r)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-piperazin-1-yl]sulfonylphenyl]propan-2-ol |
Molecular Mass |
514.457 g·mol−1 |
Heat of Formation |
-1858.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.25 ± 1.08 D |
Volume |
522.23 Å 3 |
Surface Area |
383.35 Å 2 |
HOMO Energy |
-9.20 ± 0.55 eV |
LUMO Energy |
-1.03 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2r)-1,1,1-trifluoro-2-[3-[(2r)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-piperazin-1-yl]sulfonylphenyl]propan-2-ol
- (2r)-1,1,1-trifluoro-2-[3-[(2r)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl]sulfonylphenyl]propan-2-ol
- (2r)-1,1,1-trifluoro-2-[3-[[(2r)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-piperazinyl]sulfonyl]phenyl]propan-2-ol
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InChIKey |
ZWASRJHIEFYJGL-BFUOFWGJSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
C
F
H
O
N
S
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