Mitratapide

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Properties Simple | Detailed

Formula C36H41ClN8O4S
IUPAC Name 4-[4-[4-[4-[[(2s,4r)-2-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(1r)-1-methylpropyl]-1,2,4-triazol-3-one
Molecular Mass 717.280 g·mol−1
Heat of Formation -21.0 ± 16.7 kJ·mol−1
Dipole Moment 6.89 ± 1.08 D
Volume 832.32 Å 3
Surface Area 676.55 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 2.41 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((2r)-butan-2-yl)-4-(4-(4-(4-(((2s,4r)-2-(4-chlorophenyl)-2-((4-methyl-4h-1,2,4-triazol-3-ylsulfanyl)methyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2,4-dihydro-3h-1,2,4-triazol-3-one
  • 4-[4-[4-[4-[[(2s,4r)-2-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-sec-butyl-1,2,4-triazol-3-one
  • 4-[4-[4-[4-[[(2s,4r)-2-(4-chlorophenyl)-2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2-sec-butyl-1,2,4-triazol-3-one
  • 4-[4-[4-[4-[[(2s,4r)-2-(4-chlorophenyl)-2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-sec-butyl-1,2,4-triazol-3-one
  • d05060
  • mitratapid
  • mitratapide (usan)
CAS Number(s)
  • 179602-65-4
InChIKey HQSRVYUCBOCBLY-XOOFNSLWSA-N
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