(3R,5R)-3-(4-Chlorophenyl)-3-(1H-Imidazol-1-Ylmethyl)-2-Methyl-5-{[(4-Methylphenyl)Sulfanyl]Methyl}-1,2-Oxazolidine

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Properties Simple | Detailed

Formula C22H24ClN3OS
IUPAC Name (2r,3r,5r)-3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-5-(p-tolylsulfanylmethyl)isoxazolidine
Molecular Mass 413.963 g·mol−1
Heat of Formation 218.1 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 496.39 Å 3
Surface Area 361.63 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r)-3-(4-chlorophenyl)-3-(1-imidazolylmethyl)-2-methyl-5-[[(4-methylphenyl)thio]methyl]isoxazolidine
  • (3r,5r)-3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-5-[(4-methylphenyl)sulfanylmethyl]-1,2-oxazolidine
  • (3r,5r)-3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-5-[(4-methylphenyl)sulfanylmethyl]isoxazolidine
  • (3r,5r)-3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-5-[[(4-methylphenyl)thio]methyl]isoxazolidine
  • 3-(4-chlorophenyl)-3-((1h-imidazol-1-yl)methyl)-2-methyl-5-(((4-methylphenyl)thio)methyl)isoxazolidine
  • isoxazolidine, 3-(4-chlorophenyl)-3-(h-imidazol-1-ylmethyl)-2-methyl-5-(((4-methylphenyl)thio)methyl)-, cis-
  • pr 969-566
  • pr 969566
CAS Number(s)
  • 113944-05-1
InChIKey CZCOAEUOUOJROA-IRLDBZIGSA-N
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