methyl 4-[2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamido]benzoate
methyl 4-[2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | C187-0138 |
| Compound Name: | methyl 4-[2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamido]benzoate |
| Molecular Weight: | 342.37 |
| Molecular Formula: | C17 H14 N2 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(=O)Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.189 |
| logD: | 3.1889 |
| logSw: | -3.573 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.134 |
| InChI Key: | XVYPWWYGARVKCS-UHFFFAOYSA-N |