1-[4-Chloro-2-(2-Chlorobenzoyl)Phenyl]-5-[(Dimethylamino)Methyl]-N-Ethyl-1H-1,2,4-Triazole-3-Carboxamide

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Properties Simple | Detailed

Formula C21H21Cl2N5O2
IUPAC Name 1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-[(dimethylamino)methyl]-n-ethyl-1,2,4-triazole-3-carboxamide
Molecular Mass 446.330 g·mol−1
Heat of Formation 42.8 ± 16.7 kJ·mol−1
Dipole Moment 9.14 ± 1.08 D
Volume 505.13 Å 3
Surface Area 415.17 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-(dimethylaminomethyl)-n-ethyl-1,2,4-triazole-3-carboxamide
  • 1-[4-chloro-2-(2-chlorophenyl)carbonyl-phenyl]-5-(dimethylaminomethyl)-n-ethyl-1,2,4-triazole-3-carboxamide
  • 1-[4-chloro-2-[(2-chlorophenyl)-oxomethyl]phenyl]-5-(dimethylaminomethyl)-n-ethyl-1,2,4-triazole-3-carboxamide
  • 1h-1,2,4-triazole-3-carboxamide, 1-(4-chloro-2-(2-chlorobenzoyl)phenyl)-5-((dimethylamino)methyl)-n-ethyl-
  • cgp 11952
  • cgp-11952
CAS Number(s)
  • 64078-09-7
InChIKey IRQLQRRQIHFEOV-UHFFFAOYSA-N
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Elements H C N O Cl