N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-3-(2-methoxyphenyl)propanamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-3-(2-methoxyphenyl)propanamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-3-(2-methoxyphenyl)propanamide
Compound characteristics
| Compound ID: | S639-0641 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-3-(2-methoxyphenyl)propanamide |
| Molecular Weight: | 383.49 |
| Molecular Formula: | C21 H29 N5 O2 |
| Smiles: | CN(C)C[C@@H]1CN(C[C@H]1NC(CCc1ccccc1OC)=O)c1ccncn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9545 |
| logD: | -0.2419 |
| logSw: | -2.1165 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.218 |
| InChI Key: | VRWNMJZRWVQMIN-ROUUACIJSA-N |