6-amino-8-[4-(hexyloxy)-3-methoxyphenyl]-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-[4-(hexyloxy)-3-methoxyphenyl]-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-8-[4-(hexyloxy)-3-methoxyphenyl]-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | D048-0364 |
| Compound Name: | 6-amino-8-[4-(hexyloxy)-3-methoxyphenyl]-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C26 H31 N5 O2 |
| Smiles: | CCCCCCOc1ccc(cc1OC)C1C2CN(C)CC=C2C(C#N)=C(C1(C#N)C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1249 |
| logD: | 4.1246 |
| logSw: | -4.3477 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.9 |
| InChI Key: | JOFYXSRBLWRRHM-UHFFFAOYSA-N |