N-[(2S,3R)-1-(3,5-Difluorophenyl)-3-Hydroxy-4-({(5S)-5-[3-(2-Methyl-2-Propanyl)Phenyl]-4,5,6,7-Tetrahydro-1H-Indazol-5-Yl}Amino)-2-Butanyl]Acetamide

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Properties Simple | Detailed

Formula C29H36F2N4O2
IUPAC Name n-[(1s,2r)-3-[[(5s)-5-(3-tert-butylphenyl)-1,4,6,7-tetrahydroindazol-5-yl]amino]-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-propyl]acetamide
Molecular Mass 510.619 g·mol−1
Heat of Formation -588.3 ± 16.7 kJ·mol−1
Dipole Moment 6.80 ± 1.08 D
Volume 637.88 Å 3
Surface Area 497.81 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
InChIKey BAILJXDQIBWAPX-GKRYNVPLSA-N
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Elements H C N O F