5-[4-(2-chlorobenzamido)-2-(4-ethylpiperazine-1-sulfonyl)phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-[4-(2-chlorobenzamido)-2-(4-ethylpiperazine-1-sulfonyl)phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
5-[4-(2-chlorobenzamido)-2-(4-ethylpiperazine-1-sulfonyl)phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V030-3535 |
| Compound Name: | 5-[4-(2-chlorobenzamido)-2-(4-ethylpiperazine-1-sulfonyl)phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 638.14 |
| Molecular Formula: | C31 H32 Cl N5 O6 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)S(c1cc(ccc1Oc1c(C)c(C(O)=O)nn1c1ccc(C)cc1)NC(c1ccccc1[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6243 |
| logD: | 0.1083 |
| logSw: | -4.4499 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.947 |
| InChI Key: | WULADHCLTIRBRL-UHFFFAOYSA-N |