1-{2-[(3-Isopropyl[1,2,4]Triazolo[4,3-A]Pyridin-6-Yl)Sulfanyl]Benzyl}-3-[3-(2-Methyl-2-Propanyl)-1-Phenyl-1H-Pyrazol-5-Yl]Urea

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Properties Simple | Detailed

Formula C30H34N7OS+
IUPAC Name 1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[[2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]methyl]urea
Molecular Mass 540.702 g·mol−1
Heat of Formation 420.9 ± 16.7 kJ·mol−1
Dipole Moment 7.12 ± 1.08 D
Volume 657.98 Å 3
Surface Area 561.46 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 1.79 ± eV
Point Group Symmetry C1
InChIKey GQJUPNKTYNFBRZ-UHFFFAOYSA-N
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