N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2-methylbenzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2-methylbenzamide
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2-methylbenzamide
Compound characteristics
| Compound ID: | S823-2024 |
| Compound Name: | N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2-methylbenzamide |
| Molecular Weight: | 312.37 |
| Molecular Formula: | C17 H20 N4 O2 |
| Smiles: | Cc1ccccc1C(N[C@@H]1CN(C[C@H]1CO)c1ncccn1)=O |
| Stereo: | RELATIVE |
| logP: | 1.7409 |
| logD: | 1.7409 |
| logSw: | -2.3188 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.738 |
| InChI Key: | RHDNQFIXUROFHB-HIFRSBDPSA-N |