N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2,3-dimethoxybenzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2,3-dimethoxybenzamide
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2,3-dimethoxybenzamide
Compound characteristics
| Compound ID: | S823-2095 |
| Compound Name: | N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2,3-dimethoxybenzamide |
| Molecular Weight: | 358.4 |
| Molecular Formula: | C18 H22 N4 O4 |
| Smiles: | COc1cccc(C(N[C@@H]2CN(C[C@H]2CO)c2ncccn2)=O)c1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3316 |
| logD: | 1.3316 |
| logSw: | -2.0088 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.085 |
| InChI Key: | FEWUNMSMHPITLU-OCCSQVGLSA-N |