N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2,5-difluorobenzene-1-sulfonamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2,5-difluorobenzene-1-sulfonamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2,5-difluorobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | S639-3861 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2,5-difluorobenzene-1-sulfonamide |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C17 H21 F2 N5 O2 S |
| Smiles: | CN(C)C[C@@H]1CN(C[C@H]1NS(c1cc(ccc1F)F)(=O)=O)c1ncccn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7413 |
| logD: | -0.137 |
| logSw: | -2.6505 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.068 |
| InChI Key: | YNZSSZDJHJQCET-WFASDCNBSA-N |