N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3-methylphenyl)acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3-methylphenyl)acetamide
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | S823-1148 |
| Compound Name: | N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-2-(3-methylphenyl)acetamide |
| Molecular Weight: | 326.4 |
| Molecular Formula: | C18 H22 N4 O2 |
| Smiles: | Cc1cccc(CC(N[C@@H]2CN(C[C@H]2CO)c2ccncn2)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6261 |
| logD: | 1.6256 |
| logSw: | -1.7372 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.816 |
| InChI Key: | KVNUTFIQUFRJCV-CVEARBPZSA-N |