butyl 3-[4-(4H-1,2,4-triazol-4-yl)phenyl]propanoate
Chemical Structure Depiction of
butyl 3-[4-(4H-1,2,4-triazol-4-yl)phenyl]propanoate
butyl 3-[4-(4H-1,2,4-triazol-4-yl)phenyl]propanoate
Compound characteristics
| Compound ID: | Y042-2732 |
| Compound Name: | butyl 3-[4-(4H-1,2,4-triazol-4-yl)phenyl]propanoate |
| Molecular Weight: | 273.33 |
| Molecular Formula: | C15 H19 N3 O2 |
| Smiles: | CCCCOC(CCc1ccc(cc1)n1cnnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8033 |
| logD: | 2.8033 |
| logSw: | -2.9495 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.723 |
| InChI Key: | LXPMQIPDUJMINE-UHFFFAOYSA-N |