3-(5-Methyl-1,3,4-Thiadiazol-2-Yl)-6-{4-[2-(Trifluoromethyl)Phenoxy]-1-Piperidinyl}Pyridazine

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Properties Simple | Detailed

Formula C19H18F3N5OS
IUPAC Name 2-methyl-5-[6-[4-[2-(trifluoromethyl)phenoxy]-1-piperidyl]pyridazin-3-yl]-1,3,4-thiadiazole
Molecular Mass 421.439 g·mol−1
Heat of Formation -341.4 ± 16.7 kJ·mol−1
Dipole Moment 6.20 ± 1.08 D
Volume 460.59 Å 3
Surface Area 398.19 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.62 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(5-methyl-1,3,4-thiadiazol-2-yl)-6-[4-[2-(trifluoromethyl)phenoxy]-1-piperidinyl]pyridazine
  • 3-(5-methyl-1,3,4-thiadiazol-2-yl)-6-[4-[2-(trifluoromethyl)phenoxy]-1-piperidyl]pyridazine
  • 3-(5-methyl-1,3,4-thiadiazol-2-yl)-6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine
InChIKey NVUJDKDVOZVALT-UHFFFAOYSA-N
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