N-{4-[(6-{4-[(1S)-1-(4-Fluorophenyl)Ethyl]-1-Piperazinyl}-4-Pyrimidinyl)Oxy]-1,3-Benzothiazol-2-Yl}Acetamide

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Formula C25H25FN6O2S
IUPAC Name n-[4-[6-[4-[(1s)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
Molecular Mass 492.568 g·mol−1
Heat of Formation -37.1 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 566.68 Å 3
Surface Area 449.69 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry C1
Synonyms
  • n-[4-[6-[4-[(1s)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
  • n-[4-[6-[4-[(1s)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]ethanamide
  • n-[4-[[6-[4-[(1s)-1-(4-fluorophenyl)ethyl]-1-piperazinyl]-4-pyrimidinyl]oxy]-1,3-benzothiazol-2-yl]acetamide
InChIKey QUHZTEMPQQZPNB-INIZCTEOSA-N
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