N-(4-{[4-({[1-(3-Aminophenyl)-3-(2-Methyl-2-Propanyl)-1H-Pyrazol-5-Yl]Carbamoyl}Amino)Phenyl]Amino}-6-Quinazolinyl)-4-(Dimethylamino)Butanamide

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Properties Simple | Detailed

Formula C34H40N10O2
IUPAC Name n-[4-[4-[[2-(3-aminophenyl)-5-tert-butyl-pyrazol-2-ium-5-ylium-3-yl]carbamoylamino]anilino]quinazolin-6-yl]-4-(dimethylamino)butanamide
Molecular Mass 620.747 g·mol−1
Heat of Formation 192.7 ± 16.7 kJ·mol−1
Dipole Moment 7.91 ± 1.08 D
Volume 752.59 Å 3
Surface Area 665.72 Å 2
HOMO Energy -8.23 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
InChIKey WIVSUJLYDAGUDC-UHFFFAOYSA-N
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