9-[(4-Acetyl-3-Hydroxy-2-Propylphenoxy)Methyl]-3-(2H-Tetrazol-5-Yl)-4H-Pyrido[1,2-A]Pyrimidin-4-One

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Properties Simple | Detailed

Formula C21H20N6O4
IUPAC Name 9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-3-(2h-tetrazol-5-yl)pyrido[2,1-b]pyrimidin-4-one
Molecular Mass 420.421 g·mol−1
Heat of Formation -141.3 ± 16.7 kJ·mol−1
Dipole Moment 6.98 ± 1.08 D
Volume 478.97 Å 3
Surface Area 397.21 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-pyrido(1,2-a)pyrimidin-4-one, 9-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)-3-(1h-tetrazol-5-yl)-
  • 9-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)-3-(1h-tetrazol-5-yl)-4h-pyrido(1,2-a)pyrimidin-4-one
  • 9-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-3-(2h-tetrazol-5-yl)pyrido[2,1-b]pyrimidin-4-one
  • 9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-3-(2h-tetrazol-5-yl)-4-pyrido[2,1-b]pyrimidinone
  • 9-[(4-ethanoyl-3-hydroxy-2-propyl-phenoxy)methyl]-3-(2h-1,2,3,4-tetrazol-5-yl)pyrido[2,1-b]pyrimidin-4-one
  • as 35
  • as-35
CAS Number(s)
  • 108427-72-1
InChIKey RVRGDCZGEKSIRW-UHFFFAOYSA-N
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