N-[(2S)-2-Butanyl]-6-[(3R)-3-{[4-(Trifluoromethoxy)Benzyl]Carbamoyl}-4-{[4-(Trifluoromethoxy)Phenyl]Sulfonyl}-1-Piperazinyl]-3-Pyridazinecarboxamide

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Properties Simple | Detailed

Formula C29H30F6N6O6S
IUPAC Name n-[(1s)-1-methylpropyl]-6-[(1r,3r,4r)-3-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]-4-[4-(trifluoromethoxy)phenyl]sulfonyl-piperazin-1-yl]pyridazine-3-carboxamide
Molecular Mass 704.641 g·mol−1
Heat of Formation -1994.7 ± 16.7 kJ·mol−1
Dipole Moment 2.48 ± 1.08 D
Volume 739.86 Å 3
Surface Area 602.87 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.66 ± eV
Point Group Symmetry C1
InChIKey SCTZCPJNKATZLO-MHECFPHRSA-N
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