6-amino-2-methyl-8-(3,4,5-trimethoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-2-methyl-8-(3,4,5-trimethoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-2-methyl-8-(3,4,5-trimethoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | D048-0360 |
| Compound Name: | 6-amino-2-methyl-8-(3,4,5-trimethoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 405.46 |
| Molecular Formula: | C22 H23 N5 O3 |
| Smiles: | CN1CC=C2C(C1)C(c1cc(c(c(c1)OC)OC)OC)C(C#N)(C#N)C(=C2C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5834 |
| logD: | 1.5831 |
| logSw: | -2.1079 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.743 |
| InChI Key: | OCUCXWLHEUOTIN-UHFFFAOYSA-N |