1-methyl-5-[4-(4-methylbenzene-1-sulfonyl)piperazine-1-carbonyl]-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
1-methyl-5-[4-(4-methylbenzene-1-sulfonyl)piperazine-1-carbonyl]-1H-pyrazole-4-carboxylic acid
1-methyl-5-[4-(4-methylbenzene-1-sulfonyl)piperazine-1-carbonyl]-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-6201 |
| Compound Name: | 1-methyl-5-[4-(4-methylbenzene-1-sulfonyl)piperazine-1-carbonyl]-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C17 H20 N4 O5 S |
| Smiles: | Cc1ccc(cc1)S(N1CCN(CC1)C(c1c(cnn1C)C(O)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1335 |
| logD: | -2.4413 |
| logSw: | -2.4116 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.329 |
| InChI Key: | RDMBOCJWSIPUBW-UHFFFAOYSA-N |