N-(4-{[(2S,3Ar)-2-Hydroxy-2,3,3A,4-Tetrahydropyrrolo[1,2-A]Quinoxalin-5(1H)-Yl]Carbonyl}Phenyl)-4'-Methyl-2-Biphenylcarboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C28H29N3O3
IUPAC Name n-[4-[(2s,3ar,10r)-2-hydroxy-2,3,3a,4-tetrahydro-1h-pyrrolo[1,2-a]quinoxaline-5-carbonyl]phenyl]-2-isopropyl-benzamide
Molecular Mass 455.548 g·mol−1
Heat of Formation -118.0 ± 16.7 kJ·mol−1
Dipole Moment 5.42 ± 1.08 D
Volume 606.28 Å 3
Surface Area 490.48 Å 2
HOMO Energy -7.95 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
Synonyms
  • n-[4-[(2s,3ar)-2-hydroxy2,3,3a,4-tetrahydro-1h-pyrrolo[2,1-c]quinoxaline-5-carbonyl]phenyl]-2-(4-methylphenyl)benzamide
  • n-[4-[[(2s,3ar)-2-hydroxy-2,3,3a,4-tetrahydro-1h-pyrrolo[2,1-c]quinoxalin-5-yl]-oxomethyl]phenyl]-2-(4-methylphenyl)benzamide
  • n-[4-[[(2s,3ar)-2-hydroxy-2,3,3a,4-tetrahydro-1h-pyrrolo[2,1-c]quinoxalin-5-yl]carbonyl]phenyl]-2-(4-methylphenyl)benzamide
InChIKey UACMTQPSUBFZOR-FTJBHMTQSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N