4-[({5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
4-[({5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-8693 |
| Compound Name: | 4-[({5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 362.84 |
| Molecular Formula: | C16 H15 Cl N4 O2 S |
| Smiles: | Cc1c(cccc1[Cl])OCc1ccc(/C=N/n2c(C)nnc2S)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.3096 |
| logD: | 2.8169 |
| logSw: | -3.4946 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.453 |
| InChI Key: | NESAUSWLLMFFDF-UHFFFAOYSA-N |