4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(5-methyl-1,2-oxazole-3-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-(5-methyl-1,2-oxazole-3-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(5-methyl-1,2-oxazole-3-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0314 |
| Compound Name: | 4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(5-methyl-1,2-oxazole-3-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: | Cc1cc(C(N2CC[C@H]3CN(C[C@]3(C2)COCC2CC2)c2ccc(C#N)c(c2)C(F)(F)F)=O)no1 |
| Stereo: | RELATIVE |
| logP: | 4.0036 |
| logD: | 4.0036 |
| logSw: | -4.2312 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 67.204 |
| InChI Key: | VLPRNGZAEQXQHJ-NTKDMRAZSA-N |