5-[4-(2-chlorobenzamido)-2-(4-methylpiperazine-1-sulfonyl)phenoxy]-1-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-[4-(2-chlorobenzamido)-2-(4-methylpiperazine-1-sulfonyl)phenoxy]-1-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid
5-[4-(2-chlorobenzamido)-2-(4-methylpiperazine-1-sulfonyl)phenoxy]-1-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V028-1592 |
| Compound Name: | 5-[4-(2-chlorobenzamido)-2-(4-methylpiperazine-1-sulfonyl)phenoxy]-1-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 562.04 |
| Molecular Formula: | C25 H28 Cl N5 O6 S |
| Salt: | not_available |
| Smiles: | CCn1c(c(C)c(C(O)=O)n1)Oc1ccc(cc1S(N1CCN(C)CC1)(=O)=O)NC(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5048 |
| logD: | -0.2082 |
| logSw: | -3.4612 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.747 |
| InChI Key: | JDQWIWQKDIYYNA-UHFFFAOYSA-N |