1-[rel-(3R,4S)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4S)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
1-[rel-(3R,4S)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | S824-2057 |
| Compound Name: | 1-[rel-(3R,4S)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one |
| Molecular Weight: | 340.42 |
| Molecular Formula: | C20 H24 N2 O3 |
| Smiles: | COc1ccc(CCC(N2C[C@@H](CO)[C@@H](C2)c2ccncc2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9564 |
| logD: | 1.8491 |
| logSw: | -2.3103 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.408 |
| InChI Key: | VVLQPEMZFJRGTK-HKUYNNGSSA-N |