methyl 2-{2-[5-amino-3-(ethylsulfanyl)-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-1-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[5-amino-3-(ethylsulfanyl)-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-1-yl]acetamido}benzoate
methyl 2-{2-[5-amino-3-(ethylsulfanyl)-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-1-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | G196-1636 |
| Compound Name: | methyl 2-{2-[5-amino-3-(ethylsulfanyl)-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-1-yl]acetamido}benzoate |
| Molecular Weight: | 488.58 |
| Molecular Formula: | C22 H24 N4 O5 S2 |
| Smiles: | CCSc1c(c(N)n(CC(Nc2ccccc2C(=O)OC)=O)n1)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0261 |
| logD: | 3.0105 |
| logSw: | -3.4785 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.452 |
| InChI Key: | GWCCXHMCGUTGGE-UHFFFAOYSA-N |