N-{3-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]phenyl}-N~3~-(pyrimidin-2-yl)-beta-alaninamide
Chemical Structure Depiction of
N-{3-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]phenyl}-N~3~-(pyrimidin-2-yl)-beta-alaninamide
N-{3-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]phenyl}-N~3~-(pyrimidin-2-yl)-beta-alaninamide
Compound characteristics
| Compound ID: | Y044-5344 |
| Compound Name: | N-{3-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]phenyl}-N~3~-(pyrimidin-2-yl)-beta-alaninamide |
| Molecular Weight: | 353.38 |
| Molecular Formula: | C17 H19 N7 O2 |
| Smiles: | COCc1nc(c2cccc(c2)NC(CCNc2ncccn2)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 0.8645 |
| logD: | 0.8525 |
| logSw: | -1.928 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.233 |
| InChI Key: | OZLZGXJHLWIBBS-UHFFFAOYSA-N |