5-(4-tert-butylphenyl)-4-[(furan-2-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(4-tert-butylphenyl)-4-[(furan-2-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(4-tert-butylphenyl)-4-[(furan-2-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 5933-0668 |
| Compound Name: | 5-(4-tert-butylphenyl)-4-[(furan-2-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 313.42 |
| Molecular Formula: | C17 H19 N3 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1=NNC(N1Cc1ccco1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.0626 |
| logD: | 4.7712 |
| logSw: | -4.5734 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.334 |
| InChI Key: | XOPAJNHNHTXVRT-UHFFFAOYSA-N |