4-{rel-(3aR,7aS)-3a-[(cyclopropylmethoxy)methyl]-5-[(1-methyl-1H-pyrrol-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{rel-(3aR,7aS)-3a-[(cyclopropylmethoxy)methyl]-5-[(1-methyl-1H-pyrrol-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
4-{rel-(3aR,7aS)-3a-[(cyclopropylmethoxy)methyl]-5-[(1-methyl-1H-pyrrol-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0345 |
| Compound Name: | 4-{rel-(3aR,7aS)-3a-[(cyclopropylmethoxy)methyl]-5-[(1-methyl-1H-pyrrol-2-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 472.55 |
| Molecular Formula: | C26 H31 F3 N4 O |
| Smiles: | Cn1cccc1CN1CC[C@H]2CN(C[C@]2(C1)COCC1CC1)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RELATIVE |
| logP: | 4.385 |
| logD: | 4.0521 |
| logSw: | -4.2738 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 35.958 |
| InChI Key: | FRLOUXQZGNNXCS-PXDATVDWSA-N |