N-[(3R)-3-Pyrrolidinyl]-2-({[3-(Trifluoromethyl)-4,5,6,7-Tetrahydro-1H-Indazol-1-Yl]Acetyl}Amino)-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxamide

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Properties Simple | Detailed

Formula C23H28F3N5O2S
IUPAC Name n-[(3r)-pyrrolidin-3-yl]-2-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-ium-3-ylium-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
Molecular Mass 495.561 g·mol−1
Heat of Formation -793.7 ± 16.7 kJ·mol−1
Dipole Moment 6.72 ± 1.08 D
Volume 557.25 Å 3
Surface Area 477.78 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
InChIKey CFYCEUGQUDABFL-CYBMUJFWSA-N
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