5-[2-(4-ethylpiperazine-1-sulfonyl)-4-(2-methylbenzamido)phenoxy]-1,4-dimethyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-[2-(4-ethylpiperazine-1-sulfonyl)-4-(2-methylbenzamido)phenoxy]-1,4-dimethyl-1H-pyrazole-3-carboxylic acid
5-[2-(4-ethylpiperazine-1-sulfonyl)-4-(2-methylbenzamido)phenoxy]-1,4-dimethyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V025-5168 |
| Compound Name: | 5-[2-(4-ethylpiperazine-1-sulfonyl)-4-(2-methylbenzamido)phenoxy]-1,4-dimethyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 541.63 |
| Molecular Formula: | C26 H31 N5 O6 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)S(c1cc(ccc1Oc1c(C)c(C(O)=O)nn1C)NC(c1ccccc1C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0746 |
| logD: | -0.6384 |
| logSw: | -2.8932 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.369 |
| InChI Key: | KMIYAXKQILWNGB-UHFFFAOYSA-N |