N-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
N-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Compound characteristics
| Compound ID: | F441-0049 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide |
| Molecular Weight: | 403.45 |
| Molecular Formula: | C18 H14 F N3 O3 S2 |
| Smiles: | CC1=C(C(N2C(=N1)Sc1ccccc12)=O)S(NCc1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2911 |
| logD: | 2.2863 |
| logSw: | -2.6842 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.442 |
| InChI Key: | KKEAVBAUYVEOPX-UHFFFAOYSA-N |