methyl 2-{2-[5-amino-4-(4-methylbenzene-1-sulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[5-amino-4-(4-methylbenzene-1-sulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate
methyl 2-{2-[5-amino-4-(4-methylbenzene-1-sulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | G196-1249 |
| Compound Name: | methyl 2-{2-[5-amino-4-(4-methylbenzene-1-sulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate |
| Molecular Weight: | 474.56 |
| Molecular Formula: | C21 H22 N4 O5 S2 |
| Smiles: | Cc1ccc(cc1)S(c1c(nn(CC(Nc2ccccc2C(=O)OC)=O)c1N)SC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6391 |
| logD: | 2.6235 |
| logSw: | -3.3449 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.452 |
| InChI Key: | DKOFNECTWSXXNR-UHFFFAOYSA-N |