N-[(1S)-2-Hydroxy-1-Phenylethyl]-4-(5-Methyl-2-Phenyl-4-Pyrimidinyl)-1H-Pyrrole-2-Carboxamide

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Formula C24H22N4O2
IUPAC Name n-[(1s)-2-hydroxy-1-phenyl-ethyl]-4-(5-methyl-2-phenyl-pyrimidin-4-yl)-1h-pyrrole-2-carboxamide
Molecular Mass 398.457 g·mol−1
Heat of Formation 102.3 ± 16.7 kJ·mol−1
Dipole Moment 6.92 ± 1.08 D
Volume 476.5 Å 3
Surface Area 425.58 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1s)-2-hydroxy-1-phenyl-ethyl]-4-(5-methyl-2-phenyl-pyrimidin-4-yl)-1h-pyrrole-2-carboxamide
  • n-[(1s)-2-hydroxy-1-phenylethyl]-4-(5-methyl-2-phenylpyrimidin-4-yl)-1h-pyrrole-2-carboxamide
InChIKey FNNBPGRLZUMRCC-OAQYLSRUSA-N
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