6-amino-8-{3-methoxy-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-{3-methoxy-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-8-{3-methoxy-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | D048-0369 |
| Compound Name: | 6-amino-8-{3-methoxy-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C24 H25 N5 O2 |
| Smiles: | CC(=C)COc1ccc(cc1OC)C1C2CN(C)CC=C2C(C#N)=C(C1(C#N)C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7337 |
| logD: | 2.7334 |
| logSw: | -3.054 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.981 |
| InChI Key: | OATVYIUNYKICEM-UHFFFAOYSA-N |