5-{[(6-bromonaphthalen-2-yl)oxy]methyl}-4-(2,5-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{[(6-bromonaphthalen-2-yl)oxy]methyl}-4-(2,5-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
5-{[(6-bromonaphthalen-2-yl)oxy]methyl}-4-(2,5-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5661 |
| Compound Name: | 5-{[(6-bromonaphthalen-2-yl)oxy]methyl}-4-(2,5-dimethylphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 440.36 |
| Molecular Formula: | C21 H18 Br N3 O S |
| Smiles: | Cc1ccc(C)c(c1)n1c(COc2ccc3cc(ccc3c2)[Br])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 5.6562 |
| logD: | 3.449 |
| logSw: | -5.9356 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.3605 |
| InChI Key: | WMXNWJVMSQWIJF-UHFFFAOYSA-N |