1,5-Anhydro-2,3-Dideoxy-3-{[(1R,3S)-3-Isopropyl-3-({4-[5-(Trifluoromethyl)-3-Pyridazinyl]-1-Piperazinyl}Carbonyl)Cyclopentyl]Amino}-4-O-Methyl-D-Erythro-Pentitol

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Properties Simple | Detailed

Formula C24H36F3N5O3
IUPAC Name [(1s,3r)-1-isopropyl-3-[[(3s,4s)-3-methoxytetrahydropyran-4-yl]amino]cyclopentyl]-[4-[5-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methanone
Molecular Mass 499.570 g·mol−1
Heat of Formation -1041.3 ± 16.7 kJ·mol−1
Dipole Moment 6.74 ± 1.08 D
Volume 587.42 Å 3
Surface Area 460.6 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
InChIKey LRQMIWXNBZECDM-AWWSKVOZSA-N
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