1-{3-[(6-Amino-4-Quinazolinyl)Amino]Phenyl}-3-[1-(3-Methylphenyl)-3-(2-Methyl-2-Propanyl)-1H-Pyrazol-5-Yl]Urea

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Properties Simple | Detailed

Formula C29H30N8O
IUPAC Name 1-[3-[(6-aminoquinazolin-4-yl)amino]phenyl]-3-[5-tert-butyl-2-(m-tolyl)pyrazol-2-ium-1-id-3-yl]urea
Molecular Mass 506.602 g·mol−1
Heat of Formation 372.2 ± 16.7 kJ·mol−1
Dipole Moment 6.32 ± 1.08 D
Volume 605.92 Å 3
Surface Area 538.5 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry C1
InChIKey MWDKKNFEOXEAEC-UHFFFAOYSA-N
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