2-[4-(1H-pyrrol-1-yl)oxan-4-yl]-N-(4H-1,2,4-triazol-3-yl)acetamide
Chemical Structure Depiction of
2-[4-(1H-pyrrol-1-yl)oxan-4-yl]-N-(4H-1,2,4-triazol-3-yl)acetamide
2-[4-(1H-pyrrol-1-yl)oxan-4-yl]-N-(4H-1,2,4-triazol-3-yl)acetamide
Compound characteristics
| Compound ID: | Y042-7471 |
| Compound Name: | 2-[4-(1H-pyrrol-1-yl)oxan-4-yl]-N-(4H-1,2,4-triazol-3-yl)acetamide |
| Molecular Weight: | 275.31 |
| Molecular Formula: | C13 H17 N5 O2 |
| Smiles: | C1COCCC1(CC(Nc1nnc[nH]1)=O)n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | -0.091 |
| logD: | -0.1186 |
| logSw: | -1.2946 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.629 |
| InChI Key: | PUICULPGYHXWGM-UHFFFAOYSA-N |