Biemnadin; (±)-form
AlkaPlorer ID: AK290607
Synonym: None
IUPAC Name: 2,12,16,19,29-pentazaoctacyclo[15.13.1.118,22.01,10.03,8.013,31.023,28.030,32]dotriaconta-3,5,7,13(31),16,18,20,22(32),23,25,27,29-dodecaen-9-one
Structure
SMILES: O=C1C2=CC=CC=C2NC23C4=C(NCCC4=NCC12)C1=C2C3=NC3=CC=CC=C3C2=CC=N1
InChI: InChI=1S/C27H19N5O/c33-25-16-6-2-4-8-19(16)32-27-17(25)13-30-20-10-12-29-24(22(20)27)23-21-15(9-11-28-23)14-5-1-3-7-18(14)31-26(21)27/h1-9,11,17,29,32H,10,12-13H2
InChIKey: JTUDEIZCCYNWFV-UHFFFAOYSA-N
Reference
CAS: 152053-10-6
Source
Properties Information
Molecule Weight: 429.4830000000001
TPSA？: 79.27
MolLogP？: 4.075500000000003
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 8
Activities Information
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