4-[({5-[(3,4-dichlorophenoxy)methyl]furan-2-yl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({5-[(3,4-dichlorophenoxy)methyl]furan-2-yl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
4-[({5-[(3,4-dichlorophenoxy)methyl]furan-2-yl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-8633 |
| Compound Name: | 4-[({5-[(3,4-dichlorophenoxy)methyl]furan-2-yl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 383.25 |
| Molecular Formula: | C15 H12 Cl2 N4 O2 S |
| Smiles: | Cc1nnc(n1/N=C/c1ccc(COc2ccc(c(c2)[Cl])[Cl])o1)S |
| Stereo: | ACHIRAL |
| logP: | 3.5976 |
| logD: | 3.105 |
| logSw: | -3.566 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.367 |
| InChI Key: | SWLCWHCBPBSHGJ-UHFFFAOYSA-N |