12-bromo-4-propyl-1,4-diazatetracyclo[7.6.1.0?,¹?.0¹?,¹?]hexadeca-9(16),10,12,14-tetraene
AlkaPlorer ID: AK020587
Synonym: None
IUPAC Name: (5R)-12-bromo-4-propyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
Structure
SMILES: CCCN1CCN2C3=C(CCC[C@H]31)C1=CC(Br)=CC=C12
InChI: InChI=1S/C17H21BrN2/c1-2-8-19-9-10-20-15-7-6-12(18)11-14(15)13-4-3-5-16(19)17(13)20/h6-7,11,16H,2-5,8-10H2,1H3/t16-/m1/s1
InChIKey: IRNXDKZUAGPSIT-MRXNPFEDSA-N
Source
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Properties Information
Molecule Weight: 333.273
TPSA？: 8.17
MolLogP？: 4.506800000000005
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 4
Activities Information
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