N~3~-(4,6-dimethylpyrimidin-2-yl)-N-{4-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]phenyl}-beta-alaninamide
Chemical Structure Depiction of
N~3~-(4,6-dimethylpyrimidin-2-yl)-N-{4-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]phenyl}-beta-alaninamide
N~3~-(4,6-dimethylpyrimidin-2-yl)-N-{4-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]phenyl}-beta-alaninamide
Compound characteristics
| Compound ID: | Y044-5346 |
| Compound Name: | N~3~-(4,6-dimethylpyrimidin-2-yl)-N-{4-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]phenyl}-beta-alaninamide |
| Molecular Weight: | 381.44 |
| Molecular Formula: | C19 H23 N7 O2 |
| Smiles: | Cc1cc(C)nc(NCCC(Nc2ccc(cc2)c2nc(COC)n[nH]2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.4428 |
| logD: | 1.4375 |
| logSw: | -2.0477 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.981 |
| InChI Key: | PFPVCMKMJDMYSD-UHFFFAOYSA-N |