methyl 6-amino-8-(4-tert-butoxyphenyl)-5,5,7-tricyano-3,5,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Chemical Structure Depiction of
methyl 6-amino-8-(4-tert-butoxyphenyl)-5,5,7-tricyano-3,5,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
methyl 6-amino-8-(4-tert-butoxyphenyl)-5,5,7-tricyano-3,5,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Compound characteristics
| Compound ID: | Y508-0849 |
| Compound Name: | methyl 6-amino-8-(4-tert-butoxyphenyl)-5,5,7-tricyano-3,5,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate |
| Molecular Weight: | 431.49 |
| Molecular Formula: | C24 H25 N5 O3 |
| Smiles: | CC(C)(C)Oc1ccc(cc1)C1C2CN(CC=C2C(C#N)(C#N)C(=C1C#N)N)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3958 |
| logD: | 3.3958 |
| logSw: | -3.6285 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.722 |
| InChI Key: | VGSBIHNMVSMMPA-UHFFFAOYSA-N |