1-ethyl-5-[4-(2-fluorobenzamido)-2-(4-methylpiperazine-1-sulfonyl)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-ethyl-5-[4-(2-fluorobenzamido)-2-(4-methylpiperazine-1-sulfonyl)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid
1-ethyl-5-[4-(2-fluorobenzamido)-2-(4-methylpiperazine-1-sulfonyl)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V028-1604 |
| Compound Name: | 1-ethyl-5-[4-(2-fluorobenzamido)-2-(4-methylpiperazine-1-sulfonyl)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 545.59 |
| Molecular Formula: | C25 H28 F N5 O6 S |
| Salt: | not_available |
| Smiles: | CCn1c(c(C)c(C(O)=O)n1)Oc1ccc(cc1S(N1CCN(C)CC1)(=O)=O)NC(c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0325 |
| logD: | -0.6804 |
| logSw: | -2.9902 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.747 |
| InChI Key: | OACNIYULWMHVIJ-UHFFFAOYSA-N |