Formula |
C20H27F3N6OS |
IUPAC Name |
2-[3-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propylsulfanyl]-1h-pyrimidin-6-one |
Molecular Mass |
456.528 g·mol−1 |
Heat of Formation |
-638.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.39 ± 1.08 D |
Volume |
526.27 Å 3 |
Surface Area |
459.81 Å 2 |
HOMO Energy |
-9.25 ± 0.55 eV |
LUMO Energy |
-1.04 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[3-[4-[2-tert-butyl-6-(trifluoromethyl)-4-pyrimidinyl]-1-piperazinyl]propylthio]-3h-pyrimidin-4-one
- 2-[3-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propylsulfanyl]-3h-pyrimidin-4-one
- 2-[3-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propylthio]-3h-pyrimidin-4-one
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InChIKey |
KXVAICSRMHXLJN-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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