4-phenyl-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-phenyl-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-phenyl-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
Compound ID: | 4038-0161 |
Compound Name: | 4-phenyl-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
Molecular Weight: | 343.4 |
Molecular Formula: | C17 H17 N3 O3 S |
Smiles: | COc1cc(cc(c1OC)OC)C1=NNC(N1c1ccccc1)=S |
Stereo: | ACHIRAL |
logP: | 3.0494 |
logD: | 2.3469 |
logSw: | -3.3503 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.951 |
InChI Key: | JUOJRUNKJAFMSP-UHFFFAOYSA-N |