1-[(5-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1-azabicyclo[2.2.2]octan-2-yl)methyl]-3-(thiophen-3-yl)urea
AlkaPlorer ID: AK416682
Synonym: None
IUPAC Name: 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-thiophen-3-ylurea
Structure
SMILES: COC1=CC=CC=C1N1CCN(CC2CN3CCC2CC3CNC(=O)NC2=CSC=C2)CC1
InChI: InChI=1S/C25H35N5O2S/c1-32-24-5-3-2-4-23(24)29-11-9-28(10-12-29)16-20-17-30-8-6-19(20)14-22(30)15-26-25(31)27-21-7-13-33-18-21/h2-5,7,13,18-20,22H,6,8-12,14-17H2,1H3,(H2,26,27,31)
InChIKey: IWQRTYPYHJWRCB-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 469.65500000000014
TPSA？: 60.080000000000005
MolLogP？: 3.410800000000002
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 6
Activities Information
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