1-[(2,5-dimethylphenyl)methyl]-3-(4-ethylpiperazine-1-sulfonyl)-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
1-[(2,5-dimethylphenyl)methyl]-3-(4-ethylpiperazine-1-sulfonyl)-1H-pyrazole-4-carboxylic acid
1-[(2,5-dimethylphenyl)methyl]-3-(4-ethylpiperazine-1-sulfonyl)-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | P593-0447 |
| Compound Name: | 1-[(2,5-dimethylphenyl)methyl]-3-(4-ethylpiperazine-1-sulfonyl)-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 406.5 |
| Molecular Formula: | C19 H26 N4 O4 S |
| Smiles: | CCN1CCN(CC1)S(c1c(cn(Cc2cc(C)ccc2C)n1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5253 |
| logD: | -1.2946 |
| logSw: | -2.5232 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.721 |
| InChI Key: | VVWBVMKMOQZDJF-UHFFFAOYSA-N |