Methyl [(4S)-6-Bromo-2-Methyl-4-Phenyl-3(4H)-Quinazolinyl]Acetate

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Properties Simple | Detailed

Formula C18H17BrN2O2
IUPAC Name methyl 2-[(4s)-6-bromo-2-methyl-4-phenyl-4h-quinazolin-3-yl]acetate
Molecular Mass 373.244 g·mol−1
Heat of Formation -85.5 ± 16.7 kJ·mol−1
Dipole Moment 5.43 ± 1.08 D
Volume 385.2 Å 3
Surface Area 317.01 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(4s)-6-bromo-2-methyl-4-phenyl-4h-quinazolin-3-yl]acetic acid methyl ester
  • methyl 2-[(4s)-6-bromo-2-methyl-4-phenyl-4h-quinazolin-3-yl]acetate
  • methyl 2-[(4s)-6-bromo-2-methyl-4-phenyl-4h-quinazolin-3-yl]ethanoate
InChIKey ZWSKQYINLNUCMK-SFHVURJKSA-N
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Elements H C Br O N