ethyl 4-[2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
ethyl 4-[2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Compound characteristics
Compound ID: | L849-1370 |
Compound Name: | ethyl 4-[2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate |
Molecular Weight: | 490.58 |
Molecular Formula: | C25 H26 N6 O3 S |
Smiles: | CCOC(c1ccc(cc1)NC(CSc1nnc(c2cn(C)nc2c2ccc(C)cc2)n1C)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.8624 |
logD: | 3.8623 |
logSw: | -3.7494 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 84.038 |
InChI Key: | JBWDNXZZXHDPMZ-UHFFFAOYSA-N |