6-amino-2-ethyl-8-(thiophen-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-2-ethyl-8-(thiophen-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-2-ethyl-8-(thiophen-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 3132-0223 |
| Compound Name: | 6-amino-2-ethyl-8-(thiophen-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 335.43 |
| Molecular Formula: | C18 H17 N5 S |
| Smiles: | [H]C12CN(CC)CC=C2C(C#N)=C(C(C#N)(C#N)C1c1ccsc1)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0463 |
| logD: | 2.046 |
| logSw: | -2.3464 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.844 |
| InChI Key: | WRWSKWAELGNZRB-UHFFFAOYSA-N |