3-[(6-bromo-1,3-benzothiazol-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-[(6-bromo-1,3-benzothiazol-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
3-[(6-bromo-1,3-benzothiazol-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y205-0361 |
| Compound Name: | 3-[(6-bromo-1,3-benzothiazol-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Molecular Weight: | 393.26 |
| Molecular Formula: | C16 H13 Br N2 O3 S |
| Smiles: | C1C2C=CC1C(C2C(O)=O)C(Nc1nc2ccc(cc2s1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.817 |
| logD: | 1.4918 |
| logSw: | -4.0063 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.344 |
| InChI Key: | YRLQTVLZBUOZGD-UHFFFAOYSA-N |