6-amino-2-methyl-8-(thiophen-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-2-methyl-8-(thiophen-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-2-methyl-8-(thiophen-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | D048-0367 |
| Compound Name: | 6-amino-2-methyl-8-(thiophen-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 321.4 |
| Molecular Formula: | C17 H15 N5 S |
| Smiles: | CN1CC=C2C(C1)C(c1cccs1)C(C#N)(C#N)C(=C2C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5453 |
| logD: | 1.5451 |
| logSw: | -1.9451 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.784 |
| InChI Key: | WOHNISVLVOSZRX-UHFFFAOYSA-N |