N-[(4-methylphenyl)methyl]-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-3(2H)-yl]acetamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-3(2H)-yl]acetamide
N-[(4-methylphenyl)methyl]-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-3(2H)-yl]acetamide
Compound characteristics
| Compound ID: | F943-2021 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-3(2H)-yl]acetamide |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C21 H23 N3 O4 S2 |
| Smiles: | Cc1ccc(CNC(CN2C(=O)Sc3cc(ccc23)S(N2CCCC2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.407 |
| logD: | 3.407 |
| logSw: | -3.9223 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.36 |
| InChI Key: | QRBXHCLLYZMFAA-UHFFFAOYSA-N |