N-(2,6-Diethylphenyl)-1-Methyl-8-({4-[(1-Methyl-4-Piperidinyl)Carbamoyl]-2-(Trifluoromethoxy)Phenyl}Amino)-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide

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Properties Simple | Detailed

Formula C35H39F3N8O3
IUPAC Name n-(2,6-diethylphenyl)-1-methyl-8-[4-[(1-methyl-4-piperidyl)carbamoyl]-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,3-h]quinazolin-1-ium-9b-ylium-3-carboxamide
Molecular Mass 676.731 g·mol−1
Heat of Formation -752.5 ± 16.7 kJ·mol−1
Dipole Moment 2.00 ± 1.08 D
Volume 787.44 Å 3
Surface Area 654.49 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
InChIKey JFOAJUGFHDCBJJ-UHFFFAOYSA-N
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