(4aS,4bR,9aS,14aR)-hexadecahydro-1,9,14-triazatriphenylene

AlkaPlorer ID: AK047553

Synonym: None

IUPAC Name: (2R,7S,8R,14S)-1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane

Structure

SMILES: C1CN[C@H]2[C@@H](C1)[C@H]1CCCCN1[C@@H]1CCCCN12

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InChI: InChI=1S/C15H27N3/c1-3-10-17-13(7-1)12-6-5-9-16-15(12)18-11-4-2-8-14(17)18/h12-16H,1-11H2/t12-,13+,14-,15+/m0/s1

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InChIKey: BJPDKJGEOOTNHF-LJISPDSOSA-N

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Reference

PubChem CID: 6543889

SuperNatural Ⅲ: SN0027362-01

NPASS: NPC70444

Properties Information

Molecule Weight: 249.402

TPSA: 18.51

MolLogP: 1.9922

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information