6-amino-8-(3-ethoxy-4-propoxyphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-(3-ethoxy-4-propoxyphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-8-(3-ethoxy-4-propoxyphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8009-9279 |
| Compound Name: | 6-amino-8-(3-ethoxy-4-propoxyphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 417.51 |
| Molecular Formula: | C24 H27 N5 O2 |
| Smiles: | CCCOc1ccc(cc1OCC)C1C2CN(C)CC=C2C(C#N)=C(C1(C#N)C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7515 |
| logD: | 2.7512 |
| logSw: | -3.026 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.48 |
| InChI Key: | FSIVLYANLFPKSC-UHFFFAOYSA-N |