5-[4-(2-chlorobenzamido)-2-(4-ethylpiperazine-1-sulfonyl)phenoxy]-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-[4-(2-chlorobenzamido)-2-(4-ethylpiperazine-1-sulfonyl)phenoxy]-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
5-[4-(2-chlorobenzamido)-2-(4-ethylpiperazine-1-sulfonyl)phenoxy]-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V025-9642 |
| Compound Name: | 5-[4-(2-chlorobenzamido)-2-(4-ethylpiperazine-1-sulfonyl)phenoxy]-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 642.11 |
| Molecular Formula: | C30 H29 Cl F N5 O6 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)S(c1cc(ccc1Oc1c(C)c(C(O)=O)nn1c1cccc(c1)F)NC(c1ccccc1[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2713 |
| logD: | -0.2447 |
| logSw: | -4.3165 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.947 |
| InChI Key: | PCFWLIZIVIZQBJ-UHFFFAOYSA-N |