N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-N'-(2-phenylethyl)urea
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-N'-(2-phenylethyl)urea
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-N'-(2-phenylethyl)urea
Compound characteristics
| Compound ID: | S639-1832 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-N'-(2-phenylethyl)urea |
| Molecular Weight: | 374.53 |
| Molecular Formula: | C21 H34 N4 O2 |
| Smiles: | CN(C)C[C@@H]1CN(C[C@H]1NC(NCCc1ccccc1)=O)C1CCOCC1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9936 |
| logD: | -3.5098 |
| logSw: | -1.6969 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.265 |
| InChI Key: | HEXQUOHAGYWEQQ-ICSRJNTNSA-N |