6-amino-8-(3-hydroxyphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-(3-hydroxyphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-8-(3-hydroxyphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8009-9973 |
| Compound Name: | 6-amino-8-(3-hydroxyphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 331.38 |
| Molecular Formula: | C19 H17 N5 O |
| Smiles: | CN1CC=C2C(C1)C(c1cccc(c1)O)C(C#N)(C#N)C(=C2C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.484 |
| logD: | 1.481 |
| logSw: | -1.2719 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.382 |
| InChI Key: | YQEXPWQWQQCOSX-UHFFFAOYSA-N |