4-[({5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl}methylidene)amino]-5-ethyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl}methylidene)amino]-5-ethyl-4H-1,2,4-triazole-3-thiol
4-[({5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl}methylidene)amino]-5-ethyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y503-4727 |
| Compound Name: | 4-[({5-[(4-chloro-3-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(COc2ccc(c(C)c2)[Cl])o1)S |
| Stereo: | ACHIRAL |
| logP: | 4.1731 |
| logD: | 3.6805 |
| logSw: | -4.3453 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.566 |
| InChI Key: | QTDVXYJVJVWGSM-UHFFFAOYSA-N |