Formula |
C20H15FN4O2S |
IUPAC Name |
n-[2-fluoro-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-n-methyl-acetamide |
Molecular Mass |
394.422 g·mol−1 |
Heat of Formation |
68.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.58 ± 1.08 D |
Volume |
434.63 Å 3 |
Surface Area |
386.21 Å 2 |
HOMO Energy |
-8.97 ± 0.55 eV |
LUMO Energy |
1.68 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- n-[2-fluoro-5-(3-thiophen-2-ylcarbonylpyrazolo[5,1-b]pyrimidin-7-yl)phenyl]-n-methyl-ethanamide
- n-[2-fluoro-5-[3-(thiophene-2-carbonyl)pyrazolo[5,1-b]pyrimidin-7-yl]phenyl]-n-methyl-acetamide
- n-[2-fluoro-5-[3-[oxo-(2-thienyl)methyl]-7-pyrazolo[5,1-b]pyrimidinyl]phenyl]-n-methylacetamide
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InChIKey |
NQPOCLFSADOXBR-UHFFFAOYSA-N |
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Links |
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Elements |
C
F
H
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N
S
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