(4S)-4-(2-Amino-6-Phenoxy-3(4H)-Quinazolinyl)-N,4-Dicyclohexyl-N-Methylbutanamide

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Formula C31H42N4O2
IUPAC Name (4s)-4-(2-amino-6-phenoxy-4h-quinazolin-3-yl)-n,4-dicyclohexyl-n-methyl-butanamide
Molecular Mass 502.691 g·mol−1
Heat of Formation -267.5 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 645.82 Å 3
Surface Area 518.96 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-4-[2-amino-6-(phenoxy)-4h-quinazolin-3-yl]-n,4-dicyclohexyl-n-methyl-butanamide
  • (4s)-4-[2-amino-6-(phenoxy)-4h-quinazolin-3-yl]-n,4-dicyclohexyl-n-methyl-butyramide
  • (4s)-4-[2-amino-6-(phenoxy)-4h-quinazolin-3-yl]-n,4-dicyclohexyl-n-methylbutanamide
  • 3mr
InChIKey JKQCQYBXDQPJNC-LJAQVGFWSA-N
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