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

Molecule SVG Image

Properties Simple | Detailed

Formula C19H21F3N4O2S
IUPAC Name 2-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
Molecular Mass 426.456 g·mol−1
Heat of Formation -836.2 ± 16.7 kJ·mol−1
Dipole Moment 9.73 ± 1.08 D
Volume 457.0 Å 3
Surface Area 398.88 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
  • 2-[[1-oxo-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
  • 2-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
  • 2-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
  • ag-690/40697714
  • bas 01939608
InChIKey HEUYOAFFVFTPOW-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N S