1-(2-Fluorophenyl)-3-[(3S)-2-Oxo-5-Phenyl-2,3-Dihydro-1H-1,4-Benzodiazepin-3-Yl]Urea

Molecule SVG Image

Properties Simple | Detailed

Formula C22H17FN4O2
IUPAC Name 1-(2-fluorophenyl)-3-[(3s)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea
Molecular Mass 388.394 g·mol−1
Heat of Formation -96.8 ± 16.7 kJ·mol−1
Dipole Moment 5.16 ± 1.08 D
Volume 434.5 Å 3
Surface Area 389.02 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-1-(2-fluoro-phenyl)-3-(2-oxo-5-phenyl-2,3-dihydro-1h-benzo[e][1,4]diazepin-3-yl)-urea
  • 3-(2-fluorophenyl)-1-[(3s)-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea
  • 3-(2-fluorophenyl)-1-[(3s)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea
  • a-58175
  • a-60444
  • rsv-604
InChIKey MTPVBMVUENFFLL-HXUWFJFHSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F