3-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
3-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzamide
3-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | S639-3589 |
| Compound Name: | 3-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 359.86 |
| Molecular Formula: | C18 H22 Cl N5 O |
| Smiles: | CN(C)C[C@@H]1CN(C[C@H]1NC(c1cccc(c1)[Cl])=O)c1ncccn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3311 |
| logD: | 0.043 |
| logSw: | -3.4814 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.51 |
| InChI Key: | ZXCPGPIUBCXUGP-HOCLYGCPSA-N |