methyl 2-{2-[5-amino-4-(4-fluorobenzene-1-sulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[5-amino-4-(4-fluorobenzene-1-sulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate
methyl 2-{2-[5-amino-4-(4-fluorobenzene-1-sulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | G196-1369 |
| Compound Name: | methyl 2-{2-[5-amino-4-(4-fluorobenzene-1-sulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate |
| Molecular Weight: | 478.52 |
| Molecular Formula: | C20 H19 F N4 O5 S2 |
| Smiles: | COC(c1ccccc1NC(Cn1c(c(c(n1)SC)S(c1ccc(cc1)F)(=O)=O)N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2448 |
| logD: | 2.2292 |
| logSw: | -3.085 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.452 |
| InChI Key: | PNVIDFUNYFMQBO-UHFFFAOYSA-N |