6-amino-8-(4-bromophenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-(4-bromophenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-8-(4-bromophenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | D048-0357 |
| Compound Name: | 6-amino-8-(4-bromophenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 394.27 |
| Molecular Formula: | C19 H16 Br N5 |
| Smiles: | CN1CC=C2C(C1)C(c1ccc(cc1)[Br])C(C#N)(C#N)C(=C2C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7497 |
| logD: | 2.7494 |
| logSw: | -2.9342 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.765 |
| InChI Key: | USLDAJCEQPIJJC-UHFFFAOYSA-N |