N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-3-methoxybenzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-3-methoxybenzamide
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-3-methoxybenzamide
Compound characteristics
| Compound ID: | S823-2113 |
| Compound Name: | N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-3-methoxybenzamide |
| Molecular Weight: | 328.37 |
| Molecular Formula: | C17 H20 N4 O3 |
| Smiles: | COc1cccc(c1)C(N[C@@H]1CN(C[C@H]1CO)c1ncccn1)=O |
| Stereo: | RELATIVE |
| logP: | 1.2759 |
| logD: | 1.2759 |
| logSw: | -1.9718 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.282 |
| InChI Key: | LCOSRVHWUZFGNJ-HIFRSBDPSA-N |