N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-3-methoxy-2-methylbenzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-3-methoxy-2-methylbenzamide
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-3-methoxy-2-methylbenzamide
Compound characteristics
| Compound ID: | S823-2516 |
| Compound Name: | N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-3-methoxy-2-methylbenzamide |
| Molecular Weight: | 342.4 |
| Molecular Formula: | C18 H22 N4 O3 |
| Smiles: | Cc1c(cccc1OC)C(N[C@@H]1CN(C[C@H]1CO)c1ncccn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8776 |
| logD: | 1.8776 |
| logSw: | -2.4728 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.368 |
| InChI Key: | TXOACYIKTPVNMK-HIFRSBDPSA-N |