5-{3-[(4-bromophenoxy)methyl]phenyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{3-[(4-bromophenoxy)methyl]phenyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
5-{3-[(4-bromophenoxy)methyl]phenyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8550 |
| Compound Name: | 5-{3-[(4-bromophenoxy)methyl]phenyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 482.4 |
| Molecular Formula: | C23 H20 Br N3 O2 S |
| Smiles: | CCOc1ccc(cc1)n1c(c2cccc(COc3ccc(cc3)[Br])c2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 5.9961 |
| logD: | 4.4535 |
| logSw: | -5.7023 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.809 |
| InChI Key: | CDIMDDYWNKEXMR-UHFFFAOYSA-N |