1-(((2S,4S)-4-(((P-Aminophenyl)Thio)Methyl)-2-(P-Chlorophenethyl)-1,3-Dioxolan-2-Yl)Methyl)Imidazole

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Formula C22H24ClN3O2S
IUPAC Name 4-[[(2s,4s)-2-[2-(4-chlorophenyl)ethyl]-2-(4h-imidazol-3-ium-4-ylium-3-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline
Molecular Mass 429.963 g·mol−1
Heat of Formation -117.6 ± 16.7 kJ·mol−1
Dipole Moment 6.23 ± 1.08 D
Volume 502.96 Å 3
Surface Area 371.31 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[(2s,4s)-2-[2-(4-chlorophenyl)ethyl]-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methylthio]aniline
  • 4-[[(2s,4s)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline
  • [4-[[(2s,4s)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylthio]phenyl]amine
  • azalanstat
  • benzenamine, 4-(((2-(2-(4-chlorophenyl)ethyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methyl)thio)-, (2s-cis)-
  • benzenamine, 4-(((2-(2-(4-chlorophenyl)ethyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methyl)thio)-, dihydrochloride, (2s-cis)-
  • rs 21607
  • rs-21607
CAS Number(s)
  • 143393-27-5
InChIKey VYNIUBZKEWJOJP-UNMCSNQZSA-N
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