N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxybenzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxybenzamide
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | S823-0198 |
| Compound Name: | N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxybenzamide |
| Molecular Weight: | 328.37 |
| Molecular Formula: | C17 H20 N4 O3 |
| Smiles: | COc1ccc(cc1)C(N[C@@H]1CN(C[C@H]1CO)c1ccncn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0229 |
| logD: | 1.0223 |
| logSw: | -1.5671 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.573 |
| InChI Key: | FERFRUBYUVWBRM-HIFRSBDPSA-N |