5-{4-[(2-chlorophenoxy)methyl]phenyl}-4-(1-phenylethyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{4-[(2-chlorophenoxy)methyl]phenyl}-4-(1-phenylethyl)-4H-1,2,4-triazole-3-thiol
5-{4-[(2-chlorophenoxy)methyl]phenyl}-4-(1-phenylethyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5686 |
| Compound Name: | 5-{4-[(2-chlorophenoxy)methyl]phenyl}-4-(1-phenylethyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 421.95 |
| Molecular Formula: | C23 H20 Cl N3 O S |
| Smiles: | CC(c1ccccc1)n1c(c2ccc(COc3ccccc3[Cl])cc2)nnc1S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6297 |
| logD: | 5.2853 |
| logSw: | -6.1615 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.7243 |
| InChI Key: | TVEQFVYYKKJRMY-INIZCTEOSA-N |