5-[2-(4-ethylpiperazine-1-sulfonyl)-4-(2-fluorobenzamido)phenoxy]-1-(4-methoxyphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-[2-(4-ethylpiperazine-1-sulfonyl)-4-(2-fluorobenzamido)phenoxy]-1-(4-methoxyphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
5-[2-(4-ethylpiperazine-1-sulfonyl)-4-(2-fluorobenzamido)phenoxy]-1-(4-methoxyphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V027-7588 |
| Compound Name: | 5-[2-(4-ethylpiperazine-1-sulfonyl)-4-(2-fluorobenzamido)phenoxy]-1-(4-methoxyphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 637.69 |
| Molecular Formula: | C31 H32 F N5 O7 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)S(c1cc(ccc1Oc1c(C)c(C(O)=O)nn1c1ccc(cc1)OC)NC(c1ccccc1F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.711 |
| logD: | -0.805 |
| logSw: | -3.9859 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.491 |
| InChI Key: | CJXQPDKFUDIPNQ-UHFFFAOYSA-N |