N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-2,4-difluorobenzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-2,4-difluorobenzamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-2,4-difluorobenzamide
Compound characteristics
| Compound ID: | S639-3331 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(methanesulfonyl)pyrrolidin-3-yl]-2,4-difluorobenzamide |
| Molecular Weight: | 361.41 |
| Molecular Formula: | C15 H21 F2 N3 O3 S |
| Smiles: | CN(C)C[C@@H]1CN(C[C@H]1NC(c1ccc(cc1F)F)=O)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9833 |
| logD: | -0.9415 |
| logSw: | -2.5566 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.17 |
| InChI Key: | UEJHHWVMASJSMD-QMTHXVAHSA-N |