N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-2,5-dimethoxybenzene-1-sulfonamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-2,5-dimethoxybenzene-1-sulfonamide
N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-2,5-dimethoxybenzene-1-sulfonamide
Compound characteristics
| Compound ID: | S639-9288 |
| Compound Name: | N-{rel-(3R,4S)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl}-2,5-dimethoxybenzene-1-sulfonamide |
| Molecular Weight: | 433.57 |
| Molecular Formula: | C22 H31 N3 O4 S |
| Smiles: | CN(C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1NS(c1cc(ccc1OC)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1618 |
| logD: | 0.5026 |
| logSw: | -2.8043 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.16 |
| InChI Key: | FQTQRJAWTUUZAP-ICSRJNTNSA-N |