5-(3,4-dimethoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(3,4-dimethoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(3,4-dimethoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 5442-3204 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 313.38 |
| Molecular Formula: | C16 H15 N3 O2 S |
| Smiles: | COc1ccc(cc1OC)C1=NNC(N1c1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.0159 |
| logD: | 2.0551 |
| logSw: | -3.4096 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.234 |
| InChI Key: | VWQIHWAMQDBWDM-UHFFFAOYSA-N |