(1R,9R)-11-(propane-1-sulfonyl)-5-[4-(trifluoromethoxy)phenyl]-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one
AlkaPlorer ID: AK238921
Synonym: None
IUPAC Name: (1R,9R)-11-propylsulfonyl-5-[4-(trifluoromethoxy)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Structure
SMILES: CCCS(=O)(=O)N1C[C@@H]2C[C@H](C1)C1=CC=C(C3=CC=C(OC(F)(F)F)C=C3)C(=O)N1C2
InChI: InChI=1S/C21H23F3N2O4S/c1-2-9-31(28,29)25-11-14-10-16(13-25)19-8-7-18(20(27)26(19)12-14)15-3-5-17(6-4-15)30-21(22,23)24/h3-8,14,16H,2,9-13H2,1H3/t14-,16+/m0/s1
InChIKey: INPAEXGUQGOUIV-GOEBONIOSA-N
Source
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Properties Information
Molecule Weight: 456.4860000000001
TPSA？: 68.61
MolLogP？: 3.572800000000002
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 4
Activities Information
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