2-(2-Butyl-4-Methyl-6-Oxo-1-{[2'-(2H-Tetrazol-5-Yl)-4-Biphenylyl]Methyl}-1,6-Dihydro-5-Pyrimidinyl)-N,N-Dimethylethanethioamide

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Properties Simple | Detailed

Formula C27H31N7OS
IUPAC Name 2-[2-butyl-4-methyl-6-oxo-1-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-5-yl]-n,n-dimethyl-thioacetamide
Molecular Mass 501.646 g·mol−1
Heat of Formation 319.1 ± 16.7 kJ·mol−1
Dipole Moment 6.84 ± 1.08 D
Volume 616.74 Å 3
Surface Area 444.73 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy 2.43 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-butyl-4-methyl-6-oxo-1-[[4-[2-(2h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-5-yl]-n,n-dimethyl-ethanethioamide
  • 2-[2-butyl-4-methyl-6-oxo-1-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]-5-pyrimidinyl]-n,n-dimethylthioacetamide
  • 2-[2-butyl-4-methyl-6-oxo-1-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-5-yl]-n,n-dimethyl-thioacetamide
  • 2-[2-butyl-6-keto-4-methyl-1-[4-[2-(2h-tetrazol-5-yl)phenyl]benzyl]pyrimidin-5-yl]-n,n-dimethyl-thioacetamide
InChIKey AMEROGPZOLAFBN-UHFFFAOYSA-N
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