N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-(4-methylbenzene-1-sulfonyl)acetamide
Chemical Structure Depiction of
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-(4-methylbenzene-1-sulfonyl)acetamide
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-(4-methylbenzene-1-sulfonyl)acetamide
Compound characteristics
Compound ID: | Y031-2553 |
Compound Name: | N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-2-(4-methylbenzene-1-sulfonyl)acetamide |
Molecular Weight: | 424.51 |
Molecular Formula: | C17 H16 N2 O5 S3 |
Smiles: | Cc1ccc(cc1)S(CC(Nc1nc2ccc(cc2s1)S(C)(=O)=O)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.0813 |
logD: | 2.081 |
logSw: | -2.9246 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 91.663 |
InChI Key: | ZUFGGLKYIKENNA-UHFFFAOYSA-N |