Formula |
C31H29F4N7O3 |
IUPAC Name |
n-[5-[[2-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2-methyl-phenyl]-4-methoxy-2-(4-piperazin-1-ylanilino)pyrimidine-5-carboxamide |
Molecular Mass |
623.601 g·mol−1 |
Heat of Formation |
-857.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
11.34 ± 1.08 D |
Volume |
683.85 Å 3 |
Surface Area |
605.32 Å 2 |
HOMO Energy |
-8.42 ± 0.55 eV |
LUMO Energy |
2.12 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- n-[5-[[2-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2-methyl-phenyl]-4-methoxy-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide
- n-[5-[[2-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]-4-methoxy-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide
- n-[5-[[[2-fluoro-3-(trifluoromethyl)phenyl]amino]-oxomethyl]-2-methylphenyl]-4-methoxy-2-[[4-(1-piperazinyl)phenyl]amino]-5-pyrimidinecarboxamide
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InChIKey |
RZSXAGWVTKQZAS-UHFFFAOYSA-N |
QR Code |
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Links |
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Elements |
H
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