methyl 4-{2-[5-amino-4-(benzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[5-amino-4-(benzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate
methyl 4-{2-[5-amino-4-(benzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | G196-0281 |
| Compound Name: | methyl 4-{2-[5-amino-4-(benzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C20 H20 N4 O5 S2 |
| Smiles: | COC(c1ccc(cc1)NC(Cn1c(c(c(n1)SC)S(c1ccccc1)(=O)=O)N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3969 |
| logD: | 2.3968 |
| logSw: | -2.917 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.15 |
| InChI Key: | LFSOWZMIKQZHPX-UHFFFAOYSA-N |