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HIT218695759
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HIT218695759
  • HIT ID:HIT218695759
  • Cas No:52942-31-1
  • Common Name:etoperidone
  • IUPAC:1-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3,4-diethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
    IUPAC:1-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3,4-diethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
  • InChI key:IZBNNCFOBMGTQX-UHFFFAOYSA-N
  • Molecular Formula:C19H28ClN5O
  • Molecular Weight:377.92
  • Hydrogen Bond Donor (HBD):0
  • Hydrogen Bond Acceptor (HBA):4
  • LogP:4.134
  • SMILES:CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CC
    SMILES:CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CC
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