N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide
Compound characteristics
| Compound ID: | S823-1412 |
| Compound Name: | N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide |
| Molecular Weight: | 316.36 |
| Molecular Formula: | C16 H20 N4 O3 |
| Smiles: | Cc1cc(C(N[C@@H]2CN(C[C@H]2CO)c2ncccn2)=O)c(C)o1 |
| Stereo: | RELATIVE |
| logP: | 1.3833 |
| logD: | 1.3833 |
| logSw: | -2.1177 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.485 |
| InChI Key: | DVRZYEQNODDFKA-OCCSQVGLSA-N |