2,2,2-trifluoroethyl 4-[(1,3-benzothiazol-2-yl)amino]-4-oxobut-2-enoate
Chemical Structure Depiction of
2,2,2-trifluoroethyl 4-[(1,3-benzothiazol-2-yl)amino]-4-oxobut-2-enoate
2,2,2-trifluoroethyl 4-[(1,3-benzothiazol-2-yl)amino]-4-oxobut-2-enoate
Compound characteristics
| Compound ID: | Y508-2440 |
| Compound Name: | 2,2,2-trifluoroethyl 4-[(1,3-benzothiazol-2-yl)amino]-4-oxobut-2-enoate |
| Molecular Weight: | 330.28 |
| Molecular Formula: | C13 H9 F3 N2 O3 S |
| Smiles: | C(C(F)(F)F)OC(/C=C/C(Nc1nc2ccccc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.851 |
| logD: | 3.8493 |
| logSw: | -4.085 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.683 |
| InChI Key: | VFKAICQVNMJJFL-UHFFFAOYSA-N |