3-(3,4-dimethoxyphenyl)-1-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-1-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
3-(3,4-dimethoxyphenyl)-1-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
Compound characteristics
| Compound ID: | S823-3928 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-1-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one |
| Molecular Weight: | 336.43 |
| Molecular Formula: | C18 H28 N2 O4 |
| Smiles: | CN(C)[C@@H]1CN(C[C@H]1CO)C(CCc1ccc(c(c1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5411 |
| logD: | -1.1932 |
| logSw: | -1.669 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.879 |
| InChI Key: | VKWRZTHZKQTSPS-LSDHHAIUSA-N |