6-amino-8-(4-ethoxyphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile

Chemical Structure Depiction of
6-amino-8-(4-ethoxyphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Available: 28 mg
Amount:
mg
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Compound characteristics

Compound ID: 8016-1155
Compound Name: 6-amino-8-(4-ethoxyphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Molecular Weight: 359.43
Molecular Formula: C21 H21 N5 O
Smiles: CCOc1ccc(cc1)C1C2CN(C)CC=C2C(C#N)=C(C1(C#N)C#N)N
Stereo: MIXTURE OF STEREOISOMERS
logP: 2.2847
logD: 2.2844
logSw: -2.738
Hydrogen bond acceptors count: 5
Hydrogen bond donors count: 2
Polar surface area: 82.889
InChI Key: AEKSTGQRWRJXSA-UHFFFAOYSA-N
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