Formula |
C24H24FN3O3 |
IUPAC Name |
(4s,6r)-6-[(e)-2-[5-(4-fluorophenyl)-3-isopropyl-1-(2-pyridyl)pyrazol-4-yl]vinyl]-4-hydroxy-tetrahydropyran-2-one |
Molecular Mass |
421.464 g·mol−1 |
Heat of Formation |
-324.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.04 ± 1.08 D |
Volume |
508.25 Å 3 |
Surface Area |
419.53 Å 2 |
HOMO Energy |
-8.96 ± 0.55 eV |
LUMO Energy |
-0.90 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (4s,6r)-6-[(e)-2-[5-(4-fluorophenyl)-3-isopropyl-1-(2-pyridyl)-4-pyrazolyl]vinyl]-4-hydroxy-2-tetrahydropyranone
- (4s,6r)-6-[(e)-2-[5-(4-fluorophenyl)-3-isopropyl-1-(2-pyridyl)pyrazol-4-yl]vinyl]-4-hydroxy-tetrahydropyran-2-one
- (4s,6r)-6-[(e)-2-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyridin-2-yl-pyrazol-4-yl]ethenyl]-4-hydroxy-oxan-2-one
- (4s,6r)-6-[(e)-2-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl]ethenyl]-4-hydroxyoxan-2-one
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InChIKey |
LRZMDTLDCSDUGJ-MIMFYIINSA-N |
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Elements |
H
C
N
O
F
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