Formula |
C32H30F5N3O5 |
IUPAC Name |
4-[[(1r)-2-[5-(2-fluoro-3-methoxy-phenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxo-pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid |
Molecular Mass |
631.590 g·mol−1 |
Heat of Formation |
-1668.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.48 ± 1.08 D |
Volume |
709.45 Å 3 |
Surface Area |
555.08 Å 2 |
HOMO Energy |
-8.95 ± 0.55 eV |
LUMO Energy |
1.78 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-[[(1r)-2-[5-(2-fluoro-3-methoxy-phenyl)-3-[2-fluoro-6-(trifluoromethyl)benzyl]-2,6-diketo-4-methyl-pyrimidin-1-yl]-1-phenyl-ethyl]amino]butyric acid
- 4-[[(1r)-2-[5-(2-fluoro-3-methoxy-phenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxo-pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid
- 4-[[(1r)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxo-1-pyrimidinyl]-1-phenylethyl]amino]butanoic acid
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InChIKey |
HEAUOKZIVMZVQL-VWLOTQADSA-N |
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Elements |
H
C
N
O
F
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