rel-(8R,8aS)-6-amino-8-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
rel-(8R,8aS)-6-amino-8-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
rel-(8R,8aS)-6-amino-8-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 3132-1003 |
| Compound Name: | rel-(8R,8aS)-6-amino-8-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C23 H25 N5 O2 |
| Smiles: | [H][C@]12CN(C)CC=C1C(C#N)=C(C(C#N)(C#N)[C@@H]2c1ccc(c(c1)OC)OC(C)C)N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3008 |
| logD: | 2.3005 |
| logSw: | -2.7174 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.285 |
| InChI Key: | VDVBWVDRBZPWKZ-NQIIRXRSSA-N |