N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | S639-1669 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide |
| Molecular Weight: | 399.46 |
| Molecular Formula: | C20 H28 F3 N3 O2 |
| Smiles: | CN(C)C[C@@H]1CN(C[C@H]1NC(c1ccccc1C(F)(F)F)=O)C1CCOCC1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8125 |
| logD: | -0.2999 |
| logSw: | -2.5475 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.889 |
| InChI Key: | DPDRTZBWRBCIDV-KSSFIOAISA-N |