6-amino-2-ethyl-8-(2-methoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,5,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-2-ethyl-8-(2-methoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,5,7(1H)-tricarbonitrile
6-amino-2-ethyl-8-(2-methoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,5,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | Y508-0987 |
| Compound Name: | 6-amino-2-ethyl-8-(2-methoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,5,7(1H)-tricarbonitrile |
| Molecular Weight: | 359.43 |
| Molecular Formula: | C21 H21 N5 O |
| Smiles: | CCN1CC=C2C(C1)C(C(C#N)=C(C2(C#N)C#N)N)c1ccccc1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4299 |
| logD: | 2.4299 |
| logSw: | -2.725 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.456 |
| InChI Key: | JBRHDFRKSIJXIR-UHFFFAOYSA-N |