5-{2-[(dimethylamino)methyl]phenyl}-11-(propane-1-sulfonyl)-7,11-diazatricyclo[7.3.1.0²,?]trideca-2,4-dien-6-one
AlkaPlorer ID: AK157093
Synonym: None
IUPAC Name: (1R,9R)-5-[2-[(dimethylamino)methyl]phenyl]-11-propylsulfonyl-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=CC=C3CN(C)C)C(=O)N1C2
InChI: InChI=1S/C23H31N3O3S/c1-4-11-30(28,29)25-13-17-12-19(16-25)22-10-9-21(23(27)26(22)14-17)20-8-6-5-7-18(20)15-24(2)3/h5-10,17,19H,4,11-16H2,1-3H3/t17-,19+/m0/s1
InChIKey: XRXYZHLYUUHZRO-PKOBYXMFSA-N
Source
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Properties Information
Molecule Weight: 429.5860000000002
TPSA？: 62.620000000000005
MolLogP？: 2.735800000000001
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 4
Activities Information
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