5-[2-(4-ethylpiperazine-1-sulfonyl)-4-(4-fluoro-3-methylbenzamido)phenoxy]-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-[2-(4-ethylpiperazine-1-sulfonyl)-4-(4-fluoro-3-methylbenzamido)phenoxy]-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
5-[2-(4-ethylpiperazine-1-sulfonyl)-4-(4-fluoro-3-methylbenzamido)phenoxy]-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V025-9661 |
| Compound Name: | 5-[2-(4-ethylpiperazine-1-sulfonyl)-4-(4-fluoro-3-methylbenzamido)phenoxy]-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 639.68 |
| Molecular Formula: | C31 H31 F2 N5 O6 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)S(c1cc(ccc1Oc1c(C)c(C(O)=O)nn1c1cccc(c1)F)NC(c1ccc(c(C)c1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2725 |
| logD: | -0.2435 |
| logSw: | -4.2383 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.947 |
| InChI Key: | PLJIRZASDXUBKR-UHFFFAOYSA-N |