2,8-dimethyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Chemical Structure Depiction of
2,8-dimethyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
2,8-dimethyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Compound characteristics
| Compound ID: | F441-0335 |
| Compound Name: | 2,8-dimethyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide |
| Molecular Weight: | 453.46 |
| Molecular Formula: | C19 H14 F3 N3 O3 S2 |
| Smiles: | CC1=C(C(N2C(=N1)Sc1cc(C)ccc12)=O)S(Nc1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1396 |
| logD: | 0.7311 |
| logSw: | -4.3118 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.333 |
| InChI Key: | QREIGOQXBYJNSU-UHFFFAOYSA-N |