N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl}-2,4-difluorobenzamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl}-2,4-difluorobenzamide
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl}-2,4-difluorobenzamide
Compound characteristics
| Compound ID: | S639-0058 |
| Compound Name: | N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl}-2,4-difluorobenzamide |
| Molecular Weight: | 297.35 |
| Molecular Formula: | C15 H21 F2 N3 O |
| Smiles: | CN(C)C[C@@H]1CN(C)C[C@H]1NC(c1ccc(cc1F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4035 |
| logD: | -0.7427 |
| logSw: | -2.3541 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.364 |
| InChI Key: | XBTAIIOKWQSYSO-HZMBPMFUSA-N |