2-[({2-[3-(2-Fluoroethoxy)-4-Methoxyphenyl]-5-Methyl-1,3-Thiazol-4-Yl}Methyl)Sulfanyl]-4,6-Pyrimidinediamine

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Formula C18H20FN5O2S2
IUPAC Name 2-[[2-[3-(2-fluoroethoxy)-4-methoxy-phenyl]-5-methyl-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
Molecular Mass 421.512 g·mol−1
Heat of Formation -184.4 ± 16.7 kJ·mol−1
Dipole Moment 5.24 ± 1.08 D
Volume 471.16 Å 3
Surface Area 422.35 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
InChIKey KKVXVGPJAGIJNR-UHFFFAOYSA-N
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