5-{5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl}-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl}-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
5-{5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl}-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y509-0052 |
| Compound Name: | 5-{5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl}-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 377.89 |
| Molecular Formula: | C18 H20 Cl N3 O2 S |
| Smiles: | CC(C)Cn1c(c2ccc(COc3ccc(cc3C)[Cl])o2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 5.5458 |
| logD: | 5.4379 |
| logSw: | -5.9428 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.141 |
| InChI Key: | NHZXKEVGYCYASA-UHFFFAOYSA-N |