2-(azepan-1-yl)-1-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(azepan-1-yl)-1-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]ethan-1-one
2-(azepan-1-yl)-1-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | S823-4253 |
| Compound Name: | 2-(azepan-1-yl)-1-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 283.41 |
| Molecular Formula: | C15 H29 N3 O2 |
| Smiles: | CN(C)[C@@H]1CN(C[C@H]1CO)C(CN1CCCCCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.0219 |
| logD: | -1.785 |
| logSw: | -0.0088 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.954 |
| InChI Key: | KKNUQMWCJUWIIH-UONOGXRCSA-N |