4-[({5-[(3-chlorophenoxy)methyl]furan-2-yl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({5-[(3-chlorophenoxy)methyl]furan-2-yl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
4-[({5-[(3-chlorophenoxy)methyl]furan-2-yl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-8638 |
| Compound Name: | 4-[({5-[(3-chlorophenoxy)methyl]furan-2-yl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 348.81 |
| Molecular Formula: | C15 H13 Cl N4 O2 S |
| Smiles: | Cc1nnc(n1/N=C/c1ccc(COc2cccc(c2)[Cl])o1)S |
| Stereo: | ACHIRAL |
| logP: | 3.0596 |
| logD: | 2.567 |
| logSw: | -3.2981 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.367 |
| InChI Key: | WYBVQHFSKXDCOF-UHFFFAOYSA-N |