1-ethyl-4-methyl-5-[4-(2-methylbenzamido)-2-(4-methylpiperazine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-ethyl-4-methyl-5-[4-(2-methylbenzamido)-2-(4-methylpiperazine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxylic acid
1-ethyl-4-methyl-5-[4-(2-methylbenzamido)-2-(4-methylpiperazine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V028-1616 |
| Compound Name: | 1-ethyl-4-methyl-5-[4-(2-methylbenzamido)-2-(4-methylpiperazine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 541.63 |
| Molecular Formula: | C26 H31 N5 O6 S |
| Smiles: | CCn1c(c(C)c(C(O)=O)n1)Oc1ccc(cc1S(N1CCN(C)CC1)(=O)=O)NC(c1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2686 |
| logD: | -0.4444 |
| logSw: | -2.9898 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.747 |
| InChI Key: | YFGUGAKZZFIMJN-UHFFFAOYSA-N |