2-(azepan-1-yl)-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
2-(azepan-1-yl)-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]acetamide
2-(azepan-1-yl)-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | S823-2003 |
| Compound Name: | 2-(azepan-1-yl)-N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-2-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 333.43 |
| Molecular Formula: | C17 H27 N5 O2 |
| Smiles: | C1CCCN(CC1)CC(N[C@@H]1CN(C[C@H]1CO)c1ncccn1)=O |
| Stereo: | RELATIVE |
| logP: | 1.2391 |
| logD: | -0.0815 |
| logSw: | -1.7175 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.859 |
| InChI Key: | PKAFGILEUIBJJV-CABCVRRESA-N |