1-(2,4-dimethylphenyl)-5-[2-(4-ethylpiperazine-1-sulfonyl)-4-(3-methoxybenzamido)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-(2,4-dimethylphenyl)-5-[2-(4-ethylpiperazine-1-sulfonyl)-4-(3-methoxybenzamido)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid
1-(2,4-dimethylphenyl)-5-[2-(4-ethylpiperazine-1-sulfonyl)-4-(3-methoxybenzamido)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V030-0133 |
| Compound Name: | 1-(2,4-dimethylphenyl)-5-[2-(4-ethylpiperazine-1-sulfonyl)-4-(3-methoxybenzamido)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 647.75 |
| Molecular Formula: | C33 H37 N5 O7 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)S(c1cc(ccc1Oc1c(C)c(C(O)=O)nn1c1ccc(C)cc1C)NC(c1cccc(c1)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9079 |
| logD: | 0.3919 |
| logSw: | -4.4284 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.19 |
| InChI Key: | ZYZVOKBPPYELHU-UHFFFAOYSA-N |