6-amino-8-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-8-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | D048-0361 |
| Compound Name: | 6-amino-8-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 451.53 |
| Molecular Formula: | C27 H25 N5 O2 |
| Smiles: | CN1CC=C2C(C1)C(c1ccc(c(c1)OC)OCc1ccccc1)C(C#N)(C#N)C(=C2C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1247 |
| logD: | 3.1244 |
| logSw: | -3.2319 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.71 |
| InChI Key: | PFKGKXPDZUTGDI-UHFFFAOYSA-N |