(2S)-N-{2-[3,5-Bis(Trifluoromethyl)Phenyl]Ethyl}-2-[4-(Cyclopropylmethyl)-1-Piperazinyl]-N-Methyl-2-Phenylacetamide

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Formula C27H31F6N3O
IUPAC Name (2s)-n-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(cyclopropylmethyl)piperazin-1-yl]-n-methyl-2-phenyl-acetamide
Molecular Mass 527.545 g·mol−1
Heat of Formation -1204.8 ± 16.7 kJ·mol−1
Dipole Moment 5.73 ± 1.08 D
Volume 613.66 Å 3
Surface Area 512.88 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 1.76 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(cyclopropylmethyl)-1-piperazinyl]-n-methyl-2-phenylacetamide
  • (2s)-n-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(cyclopropylmethyl)piperazin-1-yl]-n-methyl-2-phenyl-acetamide
  • (2s)-n-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(cyclopropylmethyl)piperazin-1-yl]-n-methyl-2-phenyl-ethanamide
  • (2s)-n-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(cyclopropylmethyl)piperazin-1-yl]-n-methyl-2-phenylacetamide
InChIKey HUTHJVYJUPXHDF-DEOSSOPVSA-N
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