ethyl 2-{2-[5-amino-4-(benzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[5-amino-4-(benzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate
ethyl 2-{2-[5-amino-4-(benzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | G196-1188 |
| Compound Name: | ethyl 2-{2-[5-amino-4-(benzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate |
| Molecular Weight: | 474.56 |
| Molecular Formula: | C21 H22 N4 O5 S2 |
| Smiles: | CCOC(c1ccccc1NC(Cn1c(c(c(n1)SC)S(c1ccccc1)(=O)=O)N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5744 |
| logD: | 2.5587 |
| logSw: | -3.2172 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.032 |
| InChI Key: | LKQNPBBOXVBCGM-UHFFFAOYSA-N |