Digracine

AlkaPlorer ID: AK295628

Synonym: None

IUPAC Name: 34,38-dimethyl-8,10,15,22,27,29-hexaoxa-34,38-diazaundecacyclo[19.11.3.34,16.23,17.01,21.02,18.04,16.05,13.07,11.024,32.026,30]tetraconta-5,7(11),12,19,24,26(30),31,36-octaene

Structure

SMILES: CN1CC23C=CC4C(C5C=CC4C46OCC7=CC8=C(C=C7C54CCN6C)OCO8)C2(C1)C1=CC2=C(C=C1CO3)OCO2

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InChI: InChI=1S/C34H34N2O6/c1-35-15-31-6-5-21-22-3-4-23(30(21)33(31,16-35)25-12-29-26(37-18-40-29)9-19(25)13-41-31)32-7-8-36(2)34(22,32)42-14-20-10-27-28(11-24(20)32)39-17-38-27/h3-6,9-12,21-23,30H,7-8,13-18H2,1-2H3

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InChIKey: ULZWCZZBOQHKQW-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 566.6540000000003

TPSA: 61.860000000000014

MolLogP: 3.7142000000000026

Number of H-Donors: 0

Number of H-Acceptors: 8

RingCount: 12

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information