N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-N'-[(4-methylphenyl)methyl]urea
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-N'-[(4-methylphenyl)methyl]urea
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-N'-[(4-methylphenyl)methyl]urea
Compound characteristics
| Compound ID: | S639-0975 |
| Compound Name: | N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-N'-[(4-methylphenyl)methyl]urea |
| Molecular Weight: | 381.52 |
| Molecular Formula: | C22 H31 N5 O |
| Smiles: | Cc1ccc(CNC(N[C@@H]2CN(Cc3cccnc3)C[C@H]2CN(C)C)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1466 |
| logD: | -1.4531 |
| logSw: | -1.1417 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.479 |
| InChI Key: | KNXKRSKYYWNTNK-SFTDATJTSA-N |