retuline
AlkaPlorer ID: AK088279
Synonym: None
IUPAC Name: 1-[(1S,9R,10R,11S,17R)-12-ethylidene-10-(hydroxymethyl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-8-yl]ethanone
Structure
SMILES: CC=C1CN2CC[C@@]34C5=CC=CC=C5N(C(C)=O)[C@@H]3[C@H](CO)[C@@H]1C[C@@H]24
InChI: InChI=1S/C21H26N2O2/c1-3-14-11-22-9-8-21-17-6-4-5-7-18(17)23(13(2)25)20(21)16(12-24)15(14)10-19(21)22/h3-7,15-16,19-20,24H,8-12H2,1-2H3/t15-,16-,19-,20-,21+/m1/s1
InChIKey: IJTKEUDLEABZCZ-VQDSBOJYSA-N
Source
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Properties Information
Molecule Weight: 338.4510000000001
TPSA？: 43.78
MolLogP？: 2.3221
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
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