N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Chemical Structure Depiction of
N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Compound characteristics
| Compound ID: | F441-0052 |
| Compound Name: | N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide |
| Molecular Weight: | 445.51 |
| Molecular Formula: | C20 H19 N3 O5 S2 |
| Smiles: | CC1=C(C(N2C(=N1)Sc1ccccc12)=O)S(NCc1cc(ccc1OC)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4084 |
| logD: | 2.4035 |
| logSw: | -2.8935 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.616 |
| InChI Key: | BIOHKTXWDLKGJB-UHFFFAOYSA-N |