Abafungin

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Properties Simple | Detailed

Formula C21H22N4OS
IUPAC Name 4-[2-(2,4-dimethylphenoxy)phenyl]-n-(1,4,5,6-tetrahydropyrimidin-2-yl)thiazol-2-amine
Molecular Mass 378.491 g·mol−1
Heat of Formation 181.4 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 445.08 Å 3
Surface Area 355.72 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • [4-[2-(2,4-dimethylphenoxy)phenyl]thiazol-2-yl]-(1,4,5,6-tetrahydropyrimidin-2-yl)amine
  • n-[4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl]-1,4,5,6-tetrahydropyrimidin-2-amine
  • n-[4-[2-(2,4-dimethylphenoxy)phenyl]-2-thiazolyl]-1,4,5,6-tetrahydropyrimidin-2-amine
  • n-[4-[2-(2,4-dimethylphenoxy)phenyl]thiazol-2-yl]-1,4,5,6-tetrahydropyrimidin-2-amine
CAS Number(s)
  • 129639-79-8
InChIKey TYBHXIFFPVFXQW-UHFFFAOYSA-N
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