4-[({5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl}methylidene)amino]-5-ethyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl}methylidene)amino]-5-ethyl-4H-1,2,4-triazole-3-thiol
4-[({5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl}methylidene)amino]-5-ethyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-9063 |
| Compound Name: | 4-[({5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl}methylidene)amino]-5-ethyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 376.86 |
| Molecular Formula: | C17 H17 Cl N4 O2 S |
| Smiles: | CCc1nnc(n1/N=C/c1ccc(COc2cccc(c2C)[Cl])o1)S |
| Stereo: | ACHIRAL |
| logP: | 3.9398 |
| logD: | 3.4471 |
| logSw: | -4.1412 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.652 |
| InChI Key: | JZUQCXXISKLHHU-UHFFFAOYSA-N |