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