4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(4-methyl-1,3-oxazole-5-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(4-methyl-1,3-oxazole-5-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(4-methyl-1,3-oxazole-5-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0343 |
| Compound Name: | 4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(4-methyl-1,3-oxazole-5-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 488.51 |
| Molecular Formula: | C25 H27 F3 N4 O3 |
| Smiles: | Cc1c(C(N2CC[C@H]3CN(C[C@]3(C2)COCC2CC2)c2ccc(C#N)c(c2)C(F)(F)F)=O)ocn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2566 |
| logD: | 3.2566 |
| logSw: | -3.2733 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 64.89 |
| InChI Key: | GQAKIACWWDBAJY-NTKDMRAZSA-N |