methyl 2-[2-({5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-({5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
methyl 2-[2-({5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | L849-0646 |
| Compound Name: | methyl 2-[2-({5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 492.56 |
| Molecular Formula: | C24 H24 N6 O4 S |
| Smiles: | Cn1c(c2cn(C)nc2c2cccc(c2)OC)nnc1SCC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7109 |
| logD: | 2.6971 |
| logSw: | -3.2994 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.304 |
| InChI Key: | VWBJDSCAGWNUAO-UHFFFAOYSA-N |