5-[(4-cyclohexylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(4-cyclohexylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
5-[(4-cyclohexylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8007-8473 |
| Compound Name: | 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 303.42 |
| Molecular Formula: | C16 H21 N3 O S |
| Smiles: | Cn1c(COc2ccc(cc2)C2CCCCC2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.5055 |
| logD: | 3.0811 |
| logSw: | -3.4493 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.192 |
| InChI Key: | QHAARBCHUDMHMT-UHFFFAOYSA-N |