2-(3-{(4S)-1-[(2S)-1-(Benzylamino)-2-Propanyl]-3-[2-(3-Fluorophenyl)Ethyl]-2-Thioxo-4-Imidazolidinyl}Propyl)Guanidine

Molecule SVG Image

Properties Simple | Detailed

Formula C25H35FN6S
IUPAC Name 2-[3-[(4s)-1-[(1s)-2-(benzylamino)-1-methyl-ethyl]-3-[2-(3-fluorophenyl)ethyl]-2-thioxo-imidazolidin-4-yl]propyl]guanidine
Molecular Mass 470.649 g·mol−1
Heat of Formation 45.6 ± 16.7 kJ·mol−1
Dipole Moment 5.70 ± 1.08 D
Volume 600.47 Å 3
Surface Area 486.96 Å 2
HOMO Energy -8.11 ± 0.55 eV
LUMO Energy 2.98 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3-[(4s)-1-[(1s)-2-(benzylamino)-1-methyl-ethyl]-3-[2-(3-fluorophenyl)ethyl]-2-thioxo-imidazolidin-4-yl]propyl]guanidine
  • 2-[3-[(4s)-3-[2-(3-fluorophenyl)ethyl]-1-[(1s)-1-methyl-2-(phenylmethylamino)ethyl]-2-thioxo-4-imidazolidinyl]propyl]guanidine
  • 2-[3-[(4s)-3-[2-(3-fluorophenyl)ethyl]-1-[(1s)-1-methyl-2-(phenylmethylamino)ethyl]-2-thioxo-imidazolidin-4-yl]propyl]guanidine
  • 2-[3-[(4s)-3-[2-(3-fluorophenyl)ethyl]-1-[(2s)-1-(phenylmethylamino)propan-2-yl]-2-sulfanylidene-imidazolidin-4-yl]propyl]guanidine
InChIKey DSJVYEAOYVHUJW-CVDCTZTESA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S N C F