5-{5-[(4-bromophenoxy)methyl]furan-2-yl}-4-(3-ethoxypropyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{5-[(4-bromophenoxy)methyl]furan-2-yl}-4-(3-ethoxypropyl)-4H-1,2,4-triazole-3-thiol
5-{5-[(4-bromophenoxy)methyl]furan-2-yl}-4-(3-ethoxypropyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5664 |
| Compound Name: | 5-{5-[(4-bromophenoxy)methyl]furan-2-yl}-4-(3-ethoxypropyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 438.34 |
| Molecular Formula: | C18 H20 Br N3 O3 S |
| Smiles: | CCOCCCn1c(c2ccc(COc3ccc(cc3)[Br])o2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 4.094 |
| logD: | 3.9862 |
| logSw: | -4.0322 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.011 |
| InChI Key: | FGORXKRBRZOCGX-UHFFFAOYSA-N |