Tcmdc-137004

Molecule SVG Image

Properties Simple | Detailed

Formula C19H22F2N7O2
IUPAC Name 2-(difluoromethyl)-1-[4,6-di(morpholin-4-yl)-1,3,5-triazin-2-yl]benzimidazole
Molecular Mass 418.420 g·mol−1
Heat of Formation -278.4 ± 16.7 kJ·mol−1
Dipole Moment 6.07 ± 1.08 D
Volume 458.27 Å 3
Surface Area 387.5 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(difluoromethyl)-1-(4,6-dimorpholino-1,3,5-triazin-2-yl)benzimidazole
  • 2-(difluoromethyl)-1-(4,6-dimorpholino-s-triazin-2-yl)benzimidazole
  • zstk-474
InChIKey HGVNLRPZOWWDKD-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F