(1S,8R,15R,19S)-17-(4-butoxyphenyl)-11-ethyl-17-azapentacyclo[6.6.5.0²,⁷.0⁹,¹⁴.0¹⁵,¹⁹]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione
AlkaPlorer ID: AK174803
Synonym: None
IUPAC Name: (1R,8R,15R,19R)-17-(4-butoxyphenyl)-4-ethyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaene-16,18-dione
Structure
SMILES: CCCCOC1=CC=C(N2C(=O)[C@@H]3[C@@H]4C5=CC=CC=C5[C@H](C5=CC(CC)=CC=C54)[C@H]3C2=O)C=C1
InChI: InChI=1S/C30H29NO3/c1-3-5-16-34-20-13-11-19(12-14-20)31-29(32)27-25-21-8-6-7-9-22(21)26(28(27)30(31)33)24-17-18(4-2)10-15-23(24)25/h6-15,17,25-28H,3-5,16H2,1-2H3/t25-,26-,27-,28-/m1/s1
InChIKey: WCBTZXNJBURQTI-BIYDSLDMSA-N
Source
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Properties Information
Molecule Weight: 451.5660000000002
TPSA？: 46.61
MolLogP？: 5.824500000000007
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 7
Activities Information
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