(4,6-Dimethyl-5-Pyrimidinyl){4-[(3S)-4-{(1R)-2-Methoxy-1-[4-(Trifluoromethyl)Phenyl]Ethyl}-3-Methyl-1-Piperazinyl]-4-Methyl-1-Piperidinyl}Methanone

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Properties Simple | Detailed

Formula C28H38F3N5O2
IUPAC Name (4,6-dimethylpyrimidin-5-yl)-[4-[(1r,3s,4r)-4-[(1r)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-piperazin-1-yl]-4-methyl-1-piperidyl]methanone
Molecular Mass 533.629 g·mol−1
Heat of Formation -841.6 ± 16.7 kJ·mol−1
Dipole Moment 6.05 ± 1.08 D
Volume 644.33 Å 3
Surface Area 501.85 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry C1
Synonyms
  • (4,6-dimethyl-5-pyrimidinyl)-[4-[(3s)-4-[(1r)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-1-piperazinyl]-4-methyl-1-piperidinyl]methanone
  • (4,6-dimethylpyrimidin-5-yl)-[4-[(3s)-4-[(1r)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-piperazin-1-yl]-4-methyl-1-piperidyl]methanone
  • (4,6-dimethylpyrimidin-5-yl)-[4-[(3s)-4-[(1r)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-piperazin-1-yl]-4-methyl-piperidin-1-yl]methanone
  • (4,6-dimethylpyrimidin-5-yl)-[4-[(3s)-4-[(1r)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone
  • 1-((4,6-dimethyl-5-pyrimidinyl)carbonyl)-4-(4-(2-methoxy-4-(trifluoromethyl )phenyl)ethyl-3-methyl-1-piperazinyl)-4-methylpiperidine
  • 1-[(4,6-dimethyl-5-pyrimidinyl)carbonyl]-4-[4-{2-methoxy-1(r)-4-(trifluoromethyl)-phenyl}ethyl-3(s)-methyl-1-piperazinyl]-4-methylpiperidine
  • pro 140 (anti-ccr5 monoclonal antibody) & 1-[(4,6-dimethyl-5-pyrimidinyl)carbonyl]-4-[4-{2-methoxy-1(r)-4-(trifluoromethyl)-phenyl}ethyl-3(s)-methyl-1-piperazinyl]-4-methylpiperidine
  • pro 140+vicrivirac
  • sch-417690
  • sch-d compound
  • sch-d690
  • schd
CAS Number(s)
  • 306296-47-9
InChIKey CNPVJJQCETWNEU-CYFREDJKSA-N
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