2,2,3,3-tetrafluoropropyl 6-[(1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate
Chemical Structure Depiction of
2,2,3,3-tetrafluoropropyl 6-[(1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate
2,2,3,3-tetrafluoropropyl 6-[(1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate
Compound characteristics
| Compound ID: | 8009-4400 |
| Compound Name: | 2,2,3,3-tetrafluoropropyl 6-[(1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate |
| Molecular Weight: | 416.39 |
| Molecular Formula: | C18 H16 F4 N2 O3 S |
| Smiles: | C1C=CCC(C1C(Nc1nc2ccccc2s1)=O)C(=O)OCC(C(F)F)(F)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7429 |
| logD: | 4.742 |
| logSw: | -4.7138 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.412 |
| InChI Key: | DXRCOMVCMYVVMU-UHFFFAOYSA-N |