6-amino-8-(4-nitrophenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-(4-nitrophenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-8-(4-nitrophenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8002-4439 |
| Compound Name: | 6-amino-8-(4-nitrophenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 388.43 |
| Molecular Formula: | C21 H20 N6 O2 |
| Smiles: | CCCN1CC=C2C(C1)C(c1ccc(cc1)[N+]([O-])=O)C(C#N)(C#N)C(=C2C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6862 |
| logD: | 2.6859 |
| logSw: | -3.0184 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.461 |
| InChI Key: | JLDZPQMAJAQKFG-UHFFFAOYSA-N |