4-[({5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl}methylidene)amino]-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl}methylidene)amino]-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
4-[({5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl}methylidene)amino]-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-8676 |
| Compound Name: | 4-[({5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl}methylidene)amino]-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 428.9 |
| Molecular Formula: | C20 H17 Cl N4 O3 S |
| Smiles: | Cc1cc(cc(C)c1[Cl])OCc1ccc(/C=N/n2c(c3ccco3)nnc2S)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.8803 |
| logD: | 4.5857 |
| logSw: | -5.0546 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.896 |
| InChI Key: | ZHMMYKPWTIFADX-UHFFFAOYSA-N |