N-{2-[(N,N-Diethylglycyl)Amino]-5-(Trifluoromethyl)Phenyl}-4-Methyl-3-[2-(Methylamino)-6-Quinazolinyl]Benzamide

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Formula C30H31F3N6O2
IUPAC Name n-[2-[[2-(diethylamino)acetyl]amino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide
Molecular Mass 564.601 g·mol−1
Heat of Formation -650.7 ± 16.7 kJ·mol−1
Dipole Moment 10.99 ± 1.08 D
Volume 665.12 Å 3
Surface Area 549.49 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • 1n8
  • n-[2-(2-diethylaminoethanoylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(2-methylaminoquinazolin-6-yl)benzamide
  • n-[2-[(2-diethylamino-1-oxoethyl)amino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(2-methylamino-6-quinazolinyl)benzamide
  • n-[2-[(2-diethylaminoacetyl)amino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(2-methylaminoquinazolin-6-yl)benzamide
InChIKey YGLITMMDQOZAHY-UHFFFAOYSA-N
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