1-{4-[2-(4-Chlorophenyl)-2-Propanyl]-2-Methoxyphenyl}-1H-1,2,4-Triazole-3-Carboxamide

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Properties Simple | Detailed

Formula C19H19ClN4O2
IUPAC Name 1-[4-[1-(4-chlorophenyl)-1-methyl-ethyl]-2-methoxy-phenyl]-4-aza-1-azonia-2-azanidacyclopenta-3,5-diene-3-carboxamide
Molecular Mass 370.833 g·mol−1
Heat of Formation 18.4 ± 16.7 kJ·mol−1
Dipole Moment 5.40 ± 1.08 D
Volume 433.65 Å 3
Surface Area 374.15 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-(4-chloro-alpha,alpha-dimethylbenzyl)-2-methoxyphenyl)-1,2,4-triazole-3-carboxamide
  • 1-[4-[1-(4-chlorophenyl)-1-methyl-ethyl]-2-methoxy-phenyl]-1,2,4-triazole-3-carboxamide
  • 1-[4-[1-(4-chlorophenyl)-1-methylethyl]-2-methoxyphenyl]-1,2,4-triazole-3-carboxamide
  • 1-[4-[2-(4-chlorophenyl)propan-2-yl]-2-methoxy-phenyl]-1,2,4-triazole-3-carboxamide
  • 1-[4-[2-(4-chlorophenyl)propan-2-yl]-2-methoxyphenyl]-1,2,4-triazole-3-carboxamide
  • 1h-1,2,4-triazole-3-carboxamide, 1-(4-(1-(4-chlorophenyl)-1-methylethyl)-2-methoxyphenyl)-
  • cgp 31358
  • cgp-31358
CAS Number(s)
  • 125652-47-3
InChIKey STTFFDLZKCMBQO-UHFFFAOYSA-N
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