7-Chloro-5-(2-Fluorophenyl)-1-[2-(Methylsulfonyl)Ethyl]-1,3-Dihydro-2H-1,4-Benzodiazepin-2-One

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Properties Simple | Detailed

Formula C18H16ClFN2O3S
IUPAC Name 7-chloro-5-(2-fluorophenyl)-1-(2-methylsulfonylethyl)-3h-1,4-benzodiazepin-2-one
Molecular Mass 394.848 g·mol−1
Heat of Formation -451.8 ± 16.7 kJ·mol−1
Dipole Moment 6.33 ± 1.08 D
Volume 425.84 Å 3
Surface Area 354.71 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1,4-benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(o-fluorophenyl)-1-(2-(methyl
  • 2h-1,4-benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(o-fluorophenyl)-1-(2-(methylsulfonyl)ethyl)-
  • 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2-(methylsulfonyl)ethyl)-2h-1,4-benzodiazepin-2-one
  • 7-chloro-5-(2-fluorophenyl)-1-(2-mesylethyl)-3h-1,4-benzodiazepin-2-one
  • 7-chloro-5-(2-fluorophenyl)-1-(2-methylsulfonylethyl)-3h-1,4-benzodiazepin-2-one
  • id-622
CAS Number(s)
  • 33691-06-4
InChIKey JHSVIYYVRLIPDK-UHFFFAOYSA-N
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Elements C F H Cl O N S