2-(azepan-1-yl)-1-[rel-(3R,4S)-3-[(dimethylamino)methyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(azepan-1-yl)-1-[rel-(3R,4S)-3-[(dimethylamino)methyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethan-1-one
2-(azepan-1-yl)-1-[rel-(3R,4S)-3-[(dimethylamino)methyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB53-0942 |
| Compound Name: | 2-(azepan-1-yl)-1-[rel-(3R,4S)-3-[(dimethylamino)methyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 411.55 |
| Molecular Formula: | C23 H33 N5 O2 |
| Smiles: | CN(C)C[C@H]1CN(C[C@@H]1c1nnc(c2ccccc2)o1)C(CN1CCCCCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.225 |
| logD: | -0.2427 |
| logSw: | -2.6026 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.059 |
| InChI Key: | HULQEGMXORWIJU-WOJBJXKFSA-N |