Formula |
C21H23F3N6O |
IUPAC Name |
(2s,3s)-n-[[2-methoxy-5-[5-(trifluoromethyl)-3,4-diaza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl]phenyl]methyl]-2-phenyl-piperidin-3-amine |
Molecular Mass |
432.442 g·mol−1 |
Heat of Formation |
-266.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.64 ± 1.08 D |
Volume |
488.13 Å 3 |
Surface Area |
363.96 Å 2 |
HOMO Energy |
-8.73 ± 0.55 eV |
LUMO Energy |
-1.03 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s,3s)-n-[[2-methoxy-5-[5-(trifluoromethyl)-1,2,3,4-tetrazol-1-yl]phenyl]methyl]-2-phenyl-piperidin-3-amine
- (2s,3s)-n-[[2-methoxy-5-[5-(trifluoromethyl)-1-tetrazolyl]phenyl]methyl]-2-phenyl-3-piperidinamine
- (2s,3s)-n-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenyl-piperidin-3-amine
- (2s,3s)-n-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine
- [2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]benzyl]-[(2s,3s)-2-phenyl-3-piperidyl]amine
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InChIKey |
XILNRORTJVDYRH-HKUYNNGSSA-N |
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Links |
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Downloads |
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Elements |
H
C
N
O
F
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