N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-3,5-dimethoxybenzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-3,5-dimethoxybenzamide
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-3,5-dimethoxybenzamide
Compound characteristics
| Compound ID: | S823-2519 |
| Compound Name: | N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-3,5-dimethoxybenzamide |
| Molecular Weight: | 358.4 |
| Molecular Formula: | C18 H22 N4 O4 |
| Smiles: | COc1cc(cc(c1)OC)C(N[C@@H]1CN(C[C@H]1CO)c1ncccn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4792 |
| logD: | 1.4792 |
| logSw: | -1.9993 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.825 |
| InChI Key: | OHRLBLVBTRFFLN-CJNGLKHVSA-N |