methyl 2-[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
methyl 2-[2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
methyl 2-[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: | L849-1301 |
| Compound Name: | methyl 2-[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: | 476.56 |
| Molecular Formula: | C24 H24 N6 O3 S |
| Smiles: | Cc1ccc(cc1)c1c(cn(C)n1)c1nnc(n1C)SCC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9856 |
| logD: | 2.9718 |
| logSw: | -3.4011 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.76 |
| InChI Key: | IPQHHBSQVATGFT-UHFFFAOYSA-N |