N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2,4-dimethylbenzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2,4-dimethylbenzamide
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2,4-dimethylbenzamide
Compound characteristics
| Compound ID: | S823-2091 |
| Compound Name: | N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2,4-dimethylbenzamide |
| Molecular Weight: | 326.4 |
| Molecular Formula: | C18 H22 N4 O2 |
| Smiles: | Cc1ccc(C(N[C@@H]2CN(C[C@H]2CO)c2ncccn2)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.375 |
| logD: | 2.375 |
| logSw: | -2.7563 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.738 |
| InChI Key: | GRINKHUFJBUKSH-ZBFHGGJFSA-N |