4-[({5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl}methylidene)amino]-5-(thiophen-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-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
4-[({5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl}methylidene)amino]-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-7147 |
| Compound Name: | 4-[({5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl}methylidene)amino]-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 444.96 |
| Molecular Formula: | C20 H17 Cl N4 O2 S2 |
| Smiles: | Cc1cc(cc(C)c1[Cl])OCc1ccc(/C=N/n2c(c3cccs3)nnc2S)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.6512 |
| logD: | 5.3566 |
| logSw: | -6.0601 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.336 |
| InChI Key: | PECPKIQQTAFLBF-UHFFFAOYSA-N |