N-[2-(6,8-Dibromo-2-Methyl-4-Oxo-3(4H)-Quinazolinyl)Phenyl]-D-Xylopyranosylamine

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Properties Simple | Detailed

Formula C20H19Br2N3O5
IUPAC Name 6,8-dibromo-2-methyl-3-[2-[[(2s,3s,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]amino]phenyl]quinazolin-4-one
Molecular Mass 541.190 g·mol−1
Heat of Formation -622.2 ± 16.7 kJ·mol−1
Dipole Moment 5.82 ± 1.08 D
Volume 500.72 Å 3
Surface Area 402.78 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
InChIKey GHFJZNGBIKFXKG-BVBHFADKSA-N
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Elements H C O Br N