4-[({3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
4-[({3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-6102 |
| Compound Name: | 4-[({3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 419.3 |
| Molecular Formula: | C17 H15 Br N4 O2 S |
| Smiles: | COc1ccc(/C=N/n2cnnc2S)cc1COc1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.2064 |
| logD: | 3.1631 |
| logSw: | -3.1557 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.246 |
| InChI Key: | FMJZHGPDNNHPCS-UHFFFAOYSA-N |