5-[2-(4-ethylpiperazine-1-sulfonyl)-4-(3-methylbutanamido)phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-[2-(4-ethylpiperazine-1-sulfonyl)-4-(3-methylbutanamido)phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
5-[2-(4-ethylpiperazine-1-sulfonyl)-4-(3-methylbutanamido)phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V030-3547 |
| Compound Name: | 5-[2-(4-ethylpiperazine-1-sulfonyl)-4-(3-methylbutanamido)phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 583.71 |
| Molecular Formula: | C29 H37 N5 O6 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)S(c1cc(ccc1Oc1c(C)c(C(O)=O)nn1c1ccc(C)cc1)NC(CC(C)C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9673 |
| logD: | -0.5487 |
| logSw: | -3.9383 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.006 |
| InChI Key: | BZYHLOFRLIMBOG-UHFFFAOYSA-N |