4-[({3-[2-(4-Methoxybenzyl)-2H-Tetrazol-5-Yl]Benzoyl}Amino)Methyl]Benzoic Acid

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Properties Simple | Detailed

Formula C24H21N5O4
IUPAC Name 4-[[[3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzoyl]amino]methyl]benzoic acid
Molecular Mass 443.455 g·mol−1
Heat of Formation -84.3 ± 16.7 kJ·mol−1
Dipole Moment 8.03 ± 1.08 D
Volume 515.5 Å 3
Surface Area 462.08 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[[3-[2-(4-methoxybenzyl)tetrazol-5-yl]benzoyl]amino]methyl]benzoic acid
  • 4-[[[3-[2-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrazol-5-yl]phenyl]carbonylamino]methyl]benzoic acid
  • 4-[[[[3-[2-[(4-methoxyphenyl)methyl]-5-tetrazolyl]phenyl]-oxomethyl]amino]methyl]benzoic acid
InChIKey VUTBCSIBPMXNCZ-UHFFFAOYSA-N
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