3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
Compound ID: | Y504-6246 |
Compound Name: | 3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid |
Molecular Weight: | 332.34 |
Molecular Formula: | C14 H12 N4 O4 S |
Smiles: | Cn1cc(C(O)=O)c(C(Nc2nc3ccc(cc3s2)OC)=O)n1 |
Stereo: | ACHIRAL |
logP: | 2.2181 |
logD: | -1.9707 |
logSw: | -2.9259 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 84.398 |
InChI Key: | ADKRJCOMIUJWMU-UHFFFAOYSA-N |