N-(4-{[(2-Amino-5-Chloro-4-Hydroxyquinazolin-6-Yl)Amino]Methyl}Benzoyl)Glutamic Acid

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Properties Simple | Detailed

Formula C21H20ClN5O6
IUPAC Name n-(4-{[(2-amino-5-chloro-4-hydroxyquinazolin-6-yl)amino]methyl}benzoyl)glutamic acid
Molecular Mass 473.866 g·mol−1
Heat of Formation -850.2 ± 16.7 kJ·mol−1
Dipole Moment 7.91 ± 1.08 D
Volume 512.65 Å 3
Surface Area 459.52 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
InChIKey GBFUWHPCXNMVFC-AWEZNQCLSA-O
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Elements H C N O Cl