2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-phenylpropyl)acetamide
Chemical Structure Depiction of
2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-phenylpropyl)acetamide
2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-phenylpropyl)acetamide
Compound characteristics
Compound ID: | L849-1444 |
Compound Name: | 2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-phenylpropyl)acetamide |
Molecular Weight: | 460.6 |
Molecular Formula: | C25 H28 N6 O S |
Smiles: | Cc1ccc(cc1)c1c(cn(C)n1)c1nnc(n1C)SCC(NCCCc1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 3.6935 |
logD: | 3.6935 |
logSw: | -3.7335 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.448 |
InChI Key: | PIBWDLCKMLLBIW-UHFFFAOYSA-N |