1-[(1S,2S,4aR,8aR)-2-(2H-1,3-benzodioxol-5-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]pyrrolidine
AlkaPlorer ID: AK014523
Synonym: None
IUPAC Name: [(1S,2S,4aR,8aR)-2-(1,3-benzodioxol-5-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-pyrrolidin-1-ylmethanone
Structure
SMILES: O=C([C@H]1[C@@H]2CCCC[C@@H]2C=C[C@@H]1C1=CC=C2OCOC2=C1)N1CCCC1
InChI: InChI=1S/C22H27NO3/c24-22(23-11-3-4-12-23)21-17-6-2-1-5-15(17)7-9-18(21)16-8-10-19-20(13-16)26-14-25-19/h7-10,13,15,17-18,21H,1-6,11-12,14H2/t15-,17-,18-,21+/m1/s1
InChIKey: QXSFPRUSCMGQOM-FLTJSSMESA-N
Source
Properties Information
Molecule Weight: 353.4620000000002
TPSA？: 38.77
MolLogP？: 4.113700000000003
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 5
Activities Information
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