3-(4-hydroxy-3-methoxyphenyl)-2-oxa-6,11-diazatetracyclo[7.5.2.0?,¹?.0¹²,¹?]hexadeca-1(14),9,12,15-tetraen-5-one

AlkaPlorer ID: AK034908

Synonym: None

IUPAC Name: (3R,4R)-3-(4-hydroxy-3-methoxyphenyl)-2-oxa-6,11-diazatetracyclo[7.5.2.04,15.012,16]hexadeca-1(15),9,12(16),13-tetraen-5-one

Structure

SMILES: COC1=CC([C@@H]2OC3=CC=C4NC=C5CCN=C(O)[C@@H]2C3=C54)=CC=C1O

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InChI: InChI=1S/C20H18N2O4/c1-25-15-8-10(2-4-13(15)23)19-18-17-14(26-19)5-3-12-16(17)11(9-22-12)6-7-21-20(18)24/h2-5,8-9,18-19,22-23H,6-7H2,1H3,(H,21,24)/t18-,19+/m1/s1

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InChIKey: GEJUXZYANAYHRZ-MOPGFXCFSA-N

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Source

Properties Information

Molecule Weight: 350.3740000000001

TPSA: 87.07000000000001

MolLogP: 3.6120000000000014

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information