Benzyl (2S)-4-(4-Amino-6,7-Dimethoxy-2-Quinazolinyl)-2-[(2-Methyl-2-Propanyl)Carbamoyl]-1-Piperazinecarboxylate

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Formula C27H34N6O5
IUPAC Name benzyl (2s)-4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-2-(tert-butylcarbamoyl)piperazine-1-carboxylate
Molecular Mass 522.596 g·mol−1
Heat of Formation -599.0 ± 16.7 kJ·mol−1
Dipole Moment 3.97 ± 1.08 D
Volume 618.32 Å 3
Surface Area 523.29 Å 2
HOMO Energy -8.17 ± 0.55 eV
LUMO Energy 2.55 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-2-[(tert-butylamino)-oxomethyl]-1-piperazinecarboxylic acid phenylmethyl ester
  • (2s)-4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-2-[[(1,1-dimethylethyl)amino]carbonyl]-1-piperazinecarboxylic acid, phenylmethyl ester hydrate
  • (2s)-4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-2-(tert-butylcarbamoyl)piperazine-1-carboxylic acid benzyl ester
  • phenylmethyl (2s)-4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-2-(tert-butylcarbamoyl)piperazine-1-carboxylate
InChIKey CGWOIDCAGBKOQL-FQEVSTJZSA-N
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