2-(7-Amino-4-Methyl-2-Oxo-2H-Chromen-3-Yl)-N-{2-[7-Chloro-5-(2-Fluorophenyl)-2-Oxo-2,3-Dihydro-1H-1,4-Benzodiazepin-1-Yl]Ethyl}Acetamide

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Properties Simple | Detailed

Formula C29H24ClFN4O4
IUPAC Name 2-(7-amino-4-methyl-2-oxo-chromen-3-yl)-n-[2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3h-1,4-benzodiazepin-1-yl]ethyl]acetamide
Molecular Mass 546.977 g·mol−1
Heat of Formation -572.4 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 607.62 Å 3
Surface Area 422.46 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(7-amino-2-keto-4-methyl-chromen-3-yl)-n-[2-[7-chloro-5-(2-fluorophenyl)-2-keto-3h-1,4-benzodiazepin-1-yl]ethyl]acetamide
  • 2-(7-amino-4-methyl-2-oxo-3-chromenyl)-n-[2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3h-1,4-benzodiazepin-1-yl]ethyl]acetamide
  • 2-(7-amino-4-methyl-2-oxo-chromen-3-yl)-n-[2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3h-1,4-benzodiazepin-1-yl]ethyl]acetamide
  • 2-(7-amino-4-methyl-2-oxo-chromen-3-yl)-n-[2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3h-1,4-benzodiazepin-1-yl]ethyl]ethanamide
  • 7-chloro-1,3-dihydro-5-(2-fluorophenyl)-2h-1,4-benzodiazepin-2-one-1-(2-amidoethyl)-7-amino-4-methylcoumarin-3-acetate
CAS Number(s)
  • 134282-95-4
InChIKey AZOZLZMIQMTYQK-UHFFFAOYSA-N
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Elements C F H Cl O N