ethyl 6-amino-5,7,7-tricyano-8-(thiophen-2-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Chemical Structure Depiction of
ethyl 6-amino-5,7,7-tricyano-8-(thiophen-2-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
ethyl 6-amino-5,7,7-tricyano-8-(thiophen-2-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Compound characteristics
| Compound ID: | 8009-9339 |
| Compound Name: | ethyl 6-amino-5,7,7-tricyano-8-(thiophen-2-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate |
| Molecular Weight: | 379.44 |
| Molecular Formula: | C19 H17 N5 O2 S |
| Smiles: | CCOC(N1CC=C2C(C1)C(c1cccs1)C(C#N)(C#N)C(=C2C#N)N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2078 |
| logD: | 2.2077 |
| logSw: | -2.6889 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.087 |
| InChI Key: | ZKKJIQYWHTXKBL-UHFFFAOYSA-N |