1-(2-phenylethyl)-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
1-(2-phenylethyl)-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxylic acid
1-(2-phenylethyl)-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | P593-0406 |
| Compound Name: | 1-(2-phenylethyl)-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 381.47 |
| Molecular Formula: | C16 H19 N3 O4 S2 |
| Smiles: | C(Cn1cc(C(O)=O)c(n1)S(N1CCSCC1)(=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9437 |
| logD: | -2.1628 |
| logSw: | -2.3997 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.163 |
| InChI Key: | OXBUFQKBKVAQPQ-UHFFFAOYSA-N |