6-amino-8-(5-bromo-2-fluorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-(5-bromo-2-fluorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-8-(5-bromo-2-fluorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8006-4510 |
| Compound Name: | 6-amino-8-(5-bromo-2-fluorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 440.32 |
| Molecular Formula: | C21 H19 Br F N5 |
| Smiles: | CC(C)N1CC=C2C(C1)C(c1cc(ccc1F)[Br])C(C#N)(C#N)C(=C2C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7469 |
| logD: | 3.7466 |
| logSw: | -4.0977 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.153 |
| InChI Key: | FREMENKIVJFJLL-UHFFFAOYSA-N |