4-(6-amino-5,7,7-tricyano-2-methyl-1,2,3,7,8,8a-hexahydroisoquinolin-8-yl)phenyl acetate
Chemical Structure Depiction of
4-(6-amino-5,7,7-tricyano-2-methyl-1,2,3,7,8,8a-hexahydroisoquinolin-8-yl)phenyl acetate
4-(6-amino-5,7,7-tricyano-2-methyl-1,2,3,7,8,8a-hexahydroisoquinolin-8-yl)phenyl acetate
Compound characteristics
| Compound ID: | 8001-1569 |
| Compound Name: | 4-(6-amino-5,7,7-tricyano-2-methyl-1,2,3,7,8,8a-hexahydroisoquinolin-8-yl)phenyl acetate |
| Molecular Weight: | 373.41 |
| Molecular Formula: | C21 H19 N5 O2 |
| Smiles: | CC(=O)Oc1ccc(cc1)C1C2CN(C)CC=C2C(C#N)=C(C1(C#N)C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.395 |
| logD: | 1.3947 |
| logSw: | -2.3123 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.516 |
| InChI Key: | SYOSJLJGNJHYSZ-UHFFFAOYSA-N |