1-[(1S)-1-carboxylato-3-oxo-3-phenylpropyl]-4-phenylpiperazin-1-ium
AlkaPlorer ID: AK257609
Synonym: None
IUPAC Name: (2S)-4-oxo-4-phenyl-2-(4-phenylpiperazin-1-yl)butanoic acid
Structure
SMILES: O=C(C[C@@H](C(=O)O)N1CCN(C2=CC=CC=C2)CC1)C1=CC=CC=C1
InChI: InChI=1S/C20H22N2O3/c23-19(16-7-3-1-4-8-16)15-18(20(24)25)22-13-11-21(12-14-22)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,24,25)/t18-/m0/s1
InChIKey: SJRYTSMSMBHYIW-SFHVURJKSA-N
Source
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Properties Information
Molecule Weight: 338.4070000000001
TPSA？: 60.85000000000001
MolLogP？: 2.5348000000000006
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
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