N-[4-(4-chlorobenzene-1-sulfonyl)-1-[(2-methylphenyl)methyl]-3-(methylsulfanyl)-1H-pyrazol-5-yl]acetamide
Chemical Structure Depiction of
N-[4-(4-chlorobenzene-1-sulfonyl)-1-[(2-methylphenyl)methyl]-3-(methylsulfanyl)-1H-pyrazol-5-yl]acetamide
N-[4-(4-chlorobenzene-1-sulfonyl)-1-[(2-methylphenyl)methyl]-3-(methylsulfanyl)-1H-pyrazol-5-yl]acetamide
Compound characteristics
| Compound ID: | G196-0139 |
| Compound Name: | N-[4-(4-chlorobenzene-1-sulfonyl)-1-[(2-methylphenyl)methyl]-3-(methylsulfanyl)-1H-pyrazol-5-yl]acetamide |
| Molecular Weight: | 449.98 |
| Molecular Formula: | C20 H20 Cl N3 O3 S2 |
| Smiles: | CC(Nc1c(c(nn1Cc1ccccc1C)SC)S(c1ccc(cc1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2215 |
| logD: | 4.2214 |
| logSw: | -4.5143 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.509 |
| InChI Key: | KHNYQOPLOKFWOI-UHFFFAOYSA-N |