6-amino-8-(3-methoxyphenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-(3-methoxyphenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-8-(3-methoxyphenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8003-4523 |
| Compound Name: | 6-amino-8-(3-methoxyphenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 373.46 |
| Molecular Formula: | C22 H23 N5 O |
| Smiles: | CC(C)N1CC=C2C(C1)C(c1cccc(c1)OC)C(C#N)(C#N)C(=C2C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7505 |
| logD: | 2.7501 |
| logSw: | -3.0953 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.696 |
| InChI Key: | MHBOIAHUVWGPEG-UHFFFAOYSA-N |