6-amino-2-benzyl-8-(4-nitrophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-2-benzyl-8-(4-nitrophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-2-benzyl-8-(4-nitrophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
Compound ID: | 8002-4445 |
Compound Name: | 6-amino-2-benzyl-8-(4-nitrophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
Molecular Weight: | 436.47 |
Molecular Formula: | C25 H20 N6 O2 |
Smiles: | C1C=C2C(CN1Cc1ccccc1)C(c1ccc(cc1)[N+]([O-])=O)C(C#N)(C#N)C(=C2C#N)N |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.4054 |
logD: | 3.4052 |
logSw: | -3.547 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 109.211 |
InChI Key: | UYJATSFXZGLALP-UHFFFAOYSA-N |