5-{5-[(4-bromophenoxy)methyl]furan-2-yl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{5-[(4-bromophenoxy)methyl]furan-2-yl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
5-{5-[(4-bromophenoxy)methyl]furan-2-yl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8170 |
| Compound Name: | 5-{5-[(4-bromophenoxy)methyl]furan-2-yl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 436.33 |
| Molecular Formula: | C18 H18 Br N3 O3 S |
| Smiles: | C1CC(Cn2c(c3ccc(COc4ccc(cc4)[Br])o3)nnc2S)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7286 |
| logD: | 3.6208 |
| logSw: | -4.0845 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.438 |
| InChI Key: | YHKPFDVINHRGSN-CQSZACIVSA-N |