1-[(3-methylphenyl)methyl]-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
1-[(3-methylphenyl)methyl]-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxylic acid
1-[(3-methylphenyl)methyl]-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | P593-0409 |
| Compound Name: | 1-[(3-methylphenyl)methyl]-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 381.47 |
| Molecular Formula: | C16 H19 N3 O4 S2 |
| Smiles: | Cc1cccc(Cn2cc(C(O)=O)c(n2)S(N2CCSCC2)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.3035 |
| logD: | -1.5164 |
| logSw: | -2.5156 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.185 |
| InChI Key: | JGOYSKCDQZZOJN-UHFFFAOYSA-N |