2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethan-1-one
2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 7821-0021 |
| Compound Name: | 2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 305.4 |
| Molecular Formula: | C15 H19 N3 O2 S |
| Smiles: | CCCCc1nnc([nH]1)SCC(c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6955 |
| logD: | 2.3559 |
| logSw: | -2.9846 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.527 |
| InChI Key: | DXXDZZADHIUJDS-UHFFFAOYSA-N |