(4-{[2-(5-Chloro-2-Thienyl)-5-Ethyl-6-Methyl-4-Pyrimidinyl]Amino}Phenyl)Acetic Acid

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Formula C19H18ClN3O2S
IUPAC Name 2-[4-[[2-(5-chloro-2-thienyl)-5-ethyl-6-methyl-pyrimidin-4-yl]amino]phenyl]acetic acid
Molecular Mass 387.883 g·mol−1
Heat of Formation -122.3 ± 16.7 kJ·mol−1
Dipole Moment 3.92 ± 1.08 D
Volume 443.68 Å 3
Surface Area 389.48 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[[2-(5-chloro-2-thienyl)-5-ethyl-6-methyl-4-pyrimidinyl]amino]phenyl]acetic acid
  • 2-[4-[[2-(5-chlorothiophen-2-yl)-5-ethyl-6-methyl-pyrimidin-4-yl]amino]phenyl]ethanoic acid
  • 2-[4-[[2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]amino]phenyl]acetic acid
InChIKey FDVSPBLZPJMXFV-UHFFFAOYSA-N
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