5-{2-(4-ethylpiperazine-1-sulfonyl)-4-[4-(trifluoromethyl)benzamido]phenoxy}-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-{2-(4-ethylpiperazine-1-sulfonyl)-4-[4-(trifluoromethyl)benzamido]phenoxy}-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
5-{2-(4-ethylpiperazine-1-sulfonyl)-4-[4-(trifluoromethyl)benzamido]phenoxy}-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V025-9689 |
| Compound Name: | 5-{2-(4-ethylpiperazine-1-sulfonyl)-4-[4-(trifluoromethyl)benzamido]phenoxy}-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 675.66 |
| Molecular Formula: | C31 H29 F4 N5 O6 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)S(c1cc(ccc1Oc1c(C)c(C(O)=O)nn1c1cccc(c1)F)NC(c1ccc(cc1)C(F)(F)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6889 |
| logD: | 0.1729 |
| logSw: | -4.383 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.947 |
| InChI Key: | GMFCUVJBTFXCEM-UHFFFAOYSA-N |