ethyl 3-{2-[5-amino-4-(4-methylbenzene-1-sulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 3-{2-[5-amino-4-(4-methylbenzene-1-sulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate
ethyl 3-{2-[5-amino-4-(4-methylbenzene-1-sulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | G196-0333 |
| Compound Name: | ethyl 3-{2-[5-amino-4-(4-methylbenzene-1-sulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate |
| Molecular Weight: | 488.58 |
| Molecular Formula: | C22 H24 N4 O5 S2 |
| Smiles: | CCOC(c1cccc(c1)NC(Cn1c(c(c(n1)SC)S(c1ccc(C)cc1)(=O)=O)N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6965 |
| logD: | 3.6965 |
| logSw: | -3.9234 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.73 |
| InChI Key: | VXUZZFUHIUCGRH-UHFFFAOYSA-N |