N-Benzyl-1-[5-({2-Methoxy-5-(2-Methyl-2-Propanyl)-3-[(Methylsulfonyl)Amino]Phenyl}Carbamoyl)-2-Methylphenyl]-1H-1,2,3-Triazole-4-Carboxamide

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Properties Simple | Detailed

Formula C30H34N6O5S
IUPAC Name 1-[5-[(5-tert-butyl-3-methanesulfonamido-2-methoxyphenyl)carbamoyl]-2-methylphenyl]-n-(phenylmethyl)triazole-4-carboxamide
Molecular Mass 590.693 g·mol−1
Heat of Formation -410.5 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 695.27 Å 3
Surface Area 592.68 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[5-[(5-tert-butyl-3-methanesulfonamido-2-methoxy-phenyl)carbamoyl]-2-methyl-phenyl]-n-(phenylmethyl)triazole-4-carboxamide
  • 1-[5-[[(5-tert-butyl-3-methanesulfonamido-2-methoxyphenyl)amino]-oxomethyl]-2-methylphenyl]-n-(phenylmethyl)-4-triazolecarboxamide
  • 1-[5-[[5-tert-butyl-2-methoxy-3-(methylsulfonylamino)phenyl]carbamoyl]-2-methyl-phenyl]-n-(phenylmethyl)-1,2,3-triazole-4-carboxamide
  • n-(benzyl)-1-[5-[(5-tert-butyl-3-methanesulfonamido-2-methoxy-phenyl)carbamoyl]-2-methyl-phenyl]triazole-4-carboxamide
InChIKey YVIHJEHDPKKGMU-UHFFFAOYSA-N
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