4-(4-butylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(4-butylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol
4-(4-butylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y010-2012 |
| Compound Name: | 4-(4-butylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 309.43 |
| Molecular Formula: | C18 H19 N3 S |
| Smiles: | CCCCc1ccc(cc1)n1c(c2ccccc2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 5.1806 |
| logD: | 3.638 |
| logSw: | -5.186 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.4577 |
| InChI Key: | QNPQKJOMCYJFCA-UHFFFAOYSA-N |