N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-3-(3-methoxyphenyl)propanamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-3-(3-methoxyphenyl)propanamide
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-3-(3-methoxyphenyl)propanamide
Compound characteristics
| Compound ID: | S823-1029 |
| Compound Name: | N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-3-(3-methoxyphenyl)propanamide |
| Molecular Weight: | 356.42 |
| Molecular Formula: | C19 H24 N4 O3 |
| Smiles: | COc1cccc(CCC(N[C@@H]2CN(C[C@H]2CO)c2ccncn2)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5114 |
| logD: | 1.5108 |
| logSw: | -1.8677 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.36 |
| InChI Key: | MCXCQHKDVZCTJL-WBVHZDCISA-N |