Formula |
C36H38F4N4O2S |
IUPAC Name |
n-[2-(diethylamino)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5h-cyclopenta[d]pyrimidin-1-ium-3-id-1-yl]-n-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide |
Molecular Mass |
666.771 g·mol−1 |
Heat of Formation |
-869.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.72 ± 1.08 D |
Volume |
790.43 Å 3 |
Surface Area |
593.86 Å 2 |
HOMO Energy |
-9.02 ± 0.55 eV |
LUMO Energy |
2.02 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- d03650
- darapladib (usan)
- n-(2-diethylaminoethyl)-2-[2-[(4-fluorobenzyl)thio]-4-keto-6,7-dihydro-5h-cyclopenta[e]pyrimidin-1-yl]-n-[4-[4-(trifluoromethyl)phenyl]benzyl]acetamide
- n-(2-diethylaminoethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5h-cyclopenta[e]pyrimidin-1-yl]-n-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
- n-(2-diethylaminoethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5h-cyclopenta[e]pyrimidin-1-yl]-n-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamide
- n-(2-diethylaminoethyl)-2-[2-[(4-fluorophenyl)methylthio]-4-oxo-6,7-dihydro-5h-cyclopenta[e]pyrimidin-1-yl]-n-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
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CAS Number(s) |
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InChIKey |
WDPFJWLDPVQCAJ-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
C
F
H
O
N
S
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