methyl 4-{2-[5-amino-4-(methanesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[5-amino-4-(methanesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate
methyl 4-{2-[5-amino-4-(methanesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | G196-0231 |
| Compound Name: | methyl 4-{2-[5-amino-4-(methanesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C15 H18 N4 O5 S2 |
| Smiles: | COC(c1ccc(cc1)NC(Cn1c(c(c(n1)SC)S(C)(=O)=O)N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5091 |
| logD: | 0.5091 |
| logSw: | -2.2725 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.398 |
| InChI Key: | OZUJIGFWQSKBEJ-UHFFFAOYSA-N |