5-[(4-methoxyphenyl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-[(4-methoxyphenyl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-[(4-methoxyphenyl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8014-3504 |
| Compound Name: | 5-[(4-methoxyphenyl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 297.38 |
| Molecular Formula: | C16 H15 N3 O S |
| Smiles: | COc1ccc(CC2=NNC(N2c2ccccc2)=S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3009 |
| logD: | 3.1657 |
| logSw: | -3.5086 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.373 |
| InChI Key: | LLSDYPMXBGFWOT-UHFFFAOYSA-N |