2-(3,4-dimethoxyphenyl)-1-[rel-(3R,4S)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-1-[rel-(3R,4S)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-1-one
2-(3,4-dimethoxyphenyl)-1-[rel-(3R,4S)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | S824-2067 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-1-[rel-(3R,4S)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 356.42 |
| Molecular Formula: | C20 H24 N2 O4 |
| Smiles: | COc1ccc(CC(N2C[C@@H](CO)[C@@H](C2)c2ccncc2)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2839 |
| logD: | 1.1766 |
| logSw: | -1.8686 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.125 |
| InChI Key: | GXQIJDPEHNWQAQ-IRXDYDNUSA-N |