ethyl 6-amino-8-([1,1'-biphenyl]-4-yl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Chemical Structure Depiction of
ethyl 6-amino-8-([1,1'-biphenyl]-4-yl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
ethyl 6-amino-8-([1,1'-biphenyl]-4-yl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Compound characteristics
| Compound ID: | 3132-0692 |
| Compound Name: | ethyl 6-amino-8-([1,1'-biphenyl]-4-yl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate |
| Molecular Weight: | 449.51 |
| Molecular Formula: | C27 H23 N5 O2 |
| Smiles: | [H]C12CN(CC=C2C(C#N)=C(C(C#N)(C#N)C1c1ccc(cc1)c1ccccc1)N)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.297 |
| logD: | 4.2968 |
| logSw: | -4.5365 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.797 |
| InChI Key: | AZJGSANPDAJKLX-UHFFFAOYSA-N |