ethyl 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
ethyl 2-[2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
ethyl 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: | L849-1327 |
| Compound Name: | ethyl 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: | 490.58 |
| Molecular Formula: | C25 H26 N6 O3 S |
| Smiles: | CCOC(c1ccccc1NC(CSc1nnc(c2cn(C)nc2c2ccc(C)cc2)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5292 |
| logD: | 3.5154 |
| logSw: | -3.4925 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.34 |
| InChI Key: | BODNMGPXQPKZRB-UHFFFAOYSA-N |