6-amino-8-(4-ethoxyphenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-(4-ethoxyphenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-8-(4-ethoxyphenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 3132-0213 |
| Compound Name: | 6-amino-8-(4-ethoxyphenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 373.46 |
| Molecular Formula: | C22 H23 N5 O |
| Smiles: | [H]C12CN(CC)CC=C2C(C#N)=C(C(C#N)(C#N)C1c1ccc(cc1)OCC)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6976 |
| logD: | 2.6973 |
| logSw: | -2.9441 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.949 |
| InChI Key: | YSWLRXSYQZAMDH-UHFFFAOYSA-N |