5-{[(6-bromonaphthalen-2-yl)oxy]methyl}-4-(3-ethoxypropyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{[(6-bromonaphthalen-2-yl)oxy]methyl}-4-(3-ethoxypropyl)-4H-1,2,4-triazole-3-thiol
5-{[(6-bromonaphthalen-2-yl)oxy]methyl}-4-(3-ethoxypropyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5656 |
| Compound Name: | 5-{[(6-bromonaphthalen-2-yl)oxy]methyl}-4-(3-ethoxypropyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 422.34 |
| Molecular Formula: | C18 H20 Br N3 O2 S |
| Smiles: | CCOCCCn1c(COc2ccc3cc(ccc3c2)[Br])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.875 |
| logD: | 3.6674 |
| logSw: | -4.0144 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.146 |
| InChI Key: | UPOIWYFKCUEDDF-UHFFFAOYSA-N |