N-(3-Aminopropyl)-N-[(1R)-1-(3-Benzyl-7-Chloro-4-Oxo-4H-Chromen-2-Yl)-2-Methylpropyl]-4-Methylbenzamide

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Properties Simple | Detailed

Formula C31H33ClN2O3
IUPAC Name n-(3-aminopropyl)-n-[(1r)-1-[7-chloro-4-oxo-3-(phenylmethyl)chromen-2-yl]-2-methyl-propyl]-4-methyl-benzene-5-ide-1-carboxamide
Molecular Mass 517.058 g·mol−1
Heat of Formation -317.0 ± 16.7 kJ·mol−1
Dipole Moment 5.36 ± 1.08 D
Volume 631.38 Å 3
Surface Area 475.5 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 2.17 ± eV
Point Group Symmetry C1
Synonyms
  • n-(3-aminopropyl)-n-[(1r)-1-[3-(benzyl)-7-chloro-4-keto-chromen-2-yl]-2-methyl-propyl]-4-methyl-benzamide
  • n-(3-aminopropyl)-n-[(1r)-1-[7-chloro-4-oxo-3-(phenylmethyl)-2-chromenyl]-2-methylpropyl]-4-methylbenzamide
  • n-(3-aminopropyl)-n-[(1r)-1-[7-chloro-4-oxo-3-(phenylmethyl)chromen-2-yl]-2-methyl-propyl]-4-methyl-benzamide
  • n-(3-aminopropyl)-n-[(1r)-1-[7-chloro-4-oxo-3-(phenylmethyl)chromen-2-yl]-2-methylpropyl]-4-methylbenzamide
InChIKey PGXYIBJJCLWJST-MUUNZHRXSA-N
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Elements H C N O Cl