N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | S639-3315 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide |
| Molecular Weight: | 393.43 |
| Molecular Formula: | C16 H22 F3 N3 O3 S |
| Smiles: | CN(C)C[C@@H]1CN(C[C@H]1NC(c1ccccc1C(F)(F)F)=O)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.052 |
| logD: | -0.8728 |
| logSw: | -2.4044 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.17 |
| InChI Key: | VHBPWJGKVCAYNV-BXUZGUMPSA-N |