(1R,9S)-5-{[(4-methoxyphenyl)methyl]amino}-11-[2-(thiophen-2-yl)acetyl]-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one
AlkaPlorer ID: AK262236
Synonym: None
IUPAC Name: (1R,9R)-5-[(4-methoxyphenyl)methylamino]-11-(2-thiophen-2-ylacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Structure
SMILES: COC1=CC=C(CNC2=CC=C3[C@@H]4C[C@H](CN(C(=O)CC5=CC=CS5)C4)CN3C2=O)C=C1
InChI: InChI=1S/C25H27N3O3S/c1-31-20-6-4-17(5-7-20)13-26-22-8-9-23-19-11-18(15-28(23)25(22)30)14-27(16-19)24(29)12-21-3-2-10-32-21/h2-10,18-19,26H,11-16H2,1H3/t18-,19-/m1/s1
InChIKey: SDVKYGJSWTWIDW-RTBURBONSA-N
Reference
PubChem CID: 163061081
Source
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Properties Information
Molecule Weight: 449.57600000000025
TPSA？: 63.57
MolLogP？: 3.7189000000000014
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
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