2-(4-Cyanophenyl)-N-[(2S,3R)-3-(2,4-Difluorophenyl)-3-Hydroxy-4-(1H-1,2,4-Triazol-1-Yl)-2-Butanyl]-4-Methyl-1,3-Thiazole-5-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C24H20F2N6O2S
IUPAC Name 2-(4-cyanophenyl)-n-[(2s,3r)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
Molecular Mass 494.516 g·mol−1
Heat of Formation -112.6 ± 16.7 kJ·mol−1
Dipole Moment 5.07 ± 1.08 D
Volume 552.32 Å 3
Surface Area 455.48 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 1.13 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4-cyanophenyl)-n-[(1s,2r)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-4-methyl-5-thiazolecarboxamide
  • 2-(4-cyanophenyl)-n-[(1s,2r)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-4-methyl-thiazole-5-carboxamide
  • ur-9908
InChIKey YTGZINYACZKZEJ-IZHWHUGBSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N S