Formula |
C27H25ClF3N3O2 |
IUPAC Name |
2-(1-aminoethoxy)-n-[(1s,2s)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methyl-propyl]-2-methyl-propanamide trifluoride |
Molecular Mass |
515.955 g·mol−1 |
Heat of Formation |
-731.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.43 ± 1.08 D |
Volume |
594.38 Å 3 |
Surface Area |
485.6 Å 2 |
HOMO Energy |
-9.59 ± 0.55 eV |
LUMO Energy |
2.05 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- n-[(1s,2s)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methyl-propyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridyl]oxy]propanamide
- n-[(1s,2s)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methyl-propyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridyl]oxy]propionamide
- n-[(1s,2s)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridyl]oxy]propanamide
- n-[(2s,3s)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]oxy-propanamide
- n-[(2s,3s)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]oxypropanamide
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InChIKey |
QLYKJCMUNUWAGO-GAJHUEQPSA-N |
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Elements |
C
F
H
Cl
O
N
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