3-[(1,3-benzothiazol-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-[(1,3-benzothiazol-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
3-[(1,3-benzothiazol-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y203-9852 |
| Compound Name: | 3-[(1,3-benzothiazol-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Molecular Weight: | 316.33 |
| Molecular Formula: | C15 H12 N2 O4 S |
| Smiles: | C1=CC2C(C(C1O2)C(O)=O)C(Nc1nc2ccccc2s1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2953 |
| logD: | 0.0739 |
| logSw: | -2.7766 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.123 |
| InChI Key: | BBTOGGUGIGKYTH-UHFFFAOYSA-N |