1-(4-Cyclopenta[4,5]Thieno[1,2-C]Pyrimidin-1-Ylpiperazin-1-Yl)-2-[2-(Trifluoromethyl)Phenyl]Ethanone

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Formula C22H19F3N4OS
IUPAC Name 1-(4-cyclopenta[4,5]thieno[1,2-c]pyrimidin-1-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
Molecular Mass 444.473 g·mol−1
Heat of Formation -298.8 ± 16.7 kJ·mol−1
Dipole Moment 4.54 ± 1.08 D
Volume 479.46 Å 3
Surface Area 401.05 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy 1.75 ± eV
Point Group Symmetry C1
InChIKey CMNSBUJAOPBGKR-UHFFFAOYSA-N
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