2,2,2-trifluoroethyl 4-[(1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
Chemical Structure Depiction of
2,2,2-trifluoroethyl 4-[(1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
2,2,2-trifluoroethyl 4-[(1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
Compound characteristics
| Compound ID: | 8008-6176 |
| Compound Name: | 2,2,2-trifluoroethyl 4-[(1,3-benzothiazol-2-yl)amino]-4-oxobutanoate |
| Molecular Weight: | 332.3 |
| Molecular Formula: | C13 H11 F3 N2 O3 S |
| Smiles: | C(CC(=O)OCC(F)(F)F)C(Nc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1791 |
| logD: | 3.179 |
| logSw: | -3.3137 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.683 |
| InChI Key: | VBMLAIDXDWFKTI-UHFFFAOYSA-N |