2-(3,4-dimethoxyphenyl)-1-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-1-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]ethan-1-one
2-(3,4-dimethoxyphenyl)-1-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | S823-4279 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-1-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 322.4 |
| Molecular Formula: | C17 H26 N2 O4 |
| Smiles: | CN(C)[C@@H]1CN(C[C@H]1CO)C(Cc1ccc(c(c1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3339 |
| logD: | -1.4695 |
| logSw: | -1.6568 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.879 |
| InChI Key: | GDKFBZWNPLWMHV-UONOGXRCSA-N |