5-[1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-yl]-4-(2,3-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-yl]-4-(2,3-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
5-[1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-yl]-4-(2,3-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
Compound ID: | Y502-5688 |
Compound Name: | 5-[1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-yl]-4-(2,3-dimethylphenyl)-4H-1,2,4-triazole-3-thiol |
Molecular Weight: | 420.37 |
Molecular Formula: | C18 H22 Br N5 S |
Smiles: | CC(Cn1c(C)c(c(C)n1)[Br])c1nnc(n1c1cccc(C)c1C)S |
Stereo: | RACEMIC MIXTURE |
logP: | 3.7549 |
logD: | 1.5478 |
logSw: | -4.1845 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 37.71 |
InChI Key: | DRWAPUZTNWNCJD-NSHDSACASA-N |