4-{rel-(3aR,7aR)-5-(cyclohexanecarbonyl)-3a-[(cyclopropylmethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{rel-(3aR,7aR)-5-(cyclohexanecarbonyl)-3a-[(cyclopropylmethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
4-{rel-(3aR,7aR)-5-(cyclohexanecarbonyl)-3a-[(cyclopropylmethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0306 |
| Compound Name: | 4-{rel-(3aR,7aR)-5-(cyclohexanecarbonyl)-3a-[(cyclopropylmethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 489.58 |
| Molecular Formula: | C27 H34 F3 N3 O2 |
| Smiles: | C1CCC(CC1)C(N1CC[C@H]2CN(C[C@]2(C1)COCC1CC1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RELATIVE |
| logP: | 5.0718 |
| logD: | 5.0718 |
| logSw: | -4.9167 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 46.168 |
| InChI Key: | YANWWESHANHQOC-ATIYNZHBSA-N |