N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-3-(4-methoxyphenyl)propanamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-3-(4-methoxyphenyl)propanamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-3-(4-methoxyphenyl)propanamide
Compound characteristics
| Compound ID: | S639-3643 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]-3-(4-methoxyphenyl)propanamide |
| Molecular Weight: | 383.49 |
| Molecular Formula: | C21 H29 N5 O2 |
| Smiles: | CN(C)C[C@@H]1CN(C[C@H]1NC(CCc1ccc(cc1)OC)=O)c1ncccn1 |
| Stereo: | RELATIVE |
| logP: | 2.122 |
| logD: | -0.2239 |
| logSw: | -2.5653 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.84 |
| InChI Key: | YHMMXYCGBBJYLH-HKUYNNGSSA-N |