3-fluoro-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-4-methoxybenzamide
Chemical Structure Depiction of
3-fluoro-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-4-methoxybenzamide
3-fluoro-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | S823-2100 |
| Compound Name: | 3-fluoro-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-4-methoxybenzamide |
| Molecular Weight: | 346.36 |
| Molecular Formula: | C17 H19 F N4 O3 |
| Smiles: | COc1ccc(cc1F)C(N[C@@H]1CN(C[C@H]1CO)c1ncccn1)=O |
| Stereo: | RELATIVE |
| logP: | 1.3243 |
| logD: | 1.3243 |
| logSw: | -2.024 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.368 |
| InChI Key: | MWHDLHAAMFKQEU-OCCSQVGLSA-N |