Terconazole

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Properties Simple | Detailed

Formula C26H31Cl2N5O3
IUPAC Name 1-[4-[[(2s,4r)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-isopropyl-piperazine
Molecular Mass 532.462 g·mol−1
Heat of Formation -131.8 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 606.55 Å 3
Surface Area 505.3 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 1.94 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[4-[[(2s,4r)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-isopropyl-piperazine
  • 1-[4-[[(2s,4r)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-isopropylpiperazine
  • 1-[4-[[(2s,4r)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-propan-2-yl-piperazine
  • piperazine, 1-[4-[[2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(1-methylethyl)-, rel-(2r,4s)
  • terconazole;triaconazole
  • tetrazol 7
InChIKey BLSQLHNBWJLIBQ-ZEQKJWHPSA-N
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