ethyl 6-amino-8-(3-chlorophenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Chemical Structure Depiction of
ethyl 6-amino-8-(3-chlorophenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
ethyl 6-amino-8-(3-chlorophenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Compound characteristics
| Compound ID: | 8005-2629 |
| Compound Name: | ethyl 6-amino-8-(3-chlorophenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate |
| Molecular Weight: | 407.86 |
| Molecular Formula: | C21 H18 Cl N5 O2 |
| Smiles: | CCOC(N1CC=C2C(C1)C(c1cccc(c1)[Cl])C(C#N)(C#N)C(=C2C#N)N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1865 |
| logD: | 3.1864 |
| logSw: | -3.4138 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.069 |
| InChI Key: | CMMYOEISGOFTIF-UHFFFAOYSA-N |