methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-3,5,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Chemical Structure Depiction of
methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-3,5,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-3,5,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Compound characteristics
| Compound ID: | Y508-0983 |
| Compound Name: | methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-3,5,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate |
| Molecular Weight: | 433.47 |
| Molecular Formula: | C23 H23 N5 O4 |
| Smiles: | CCOc1ccc(cc1OC)C1C2CN(CC=C2C(C#N)(C#N)C(=C1C#N)N)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9854 |
| logD: | 1.9854 |
| logSw: | -2.6181 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.33 |
| InChI Key: | XEQCGUXUHAMTSZ-UHFFFAOYSA-N |