4-[rel-(3R,4R)-3-(2,3-dihydro-1H-indole-1-carbonyl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3R,4R)-3-(2,3-dihydro-1H-indole-1-carbonyl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3R,4R)-3-(2,3-dihydro-1H-indole-1-carbonyl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S964-0167 |
| Compound Name: | 4-[rel-(3R,4R)-3-(2,3-dihydro-1H-indole-1-carbonyl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 429.44 |
| Molecular Formula: | C23 H22 F3 N3 O2 |
| Smiles: | COC[C@H]1CN(C[C@@H]1C(N1CCc2ccccc12)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5968 |
| logD: | 3.5968 |
| logSw: | -3.84 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 45.083 |
| InChI Key: | QIUWTKYZWDJZHF-PKOBYXMFSA-N |