N-(3-chloro-4-methoxyphenyl)-2,8-dimethyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2,8-dimethyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
N-(3-chloro-4-methoxyphenyl)-2,8-dimethyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Compound characteristics
| Compound ID: | F441-0244 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2,8-dimethyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide |
| Molecular Weight: | 449.93 |
| Molecular Formula: | C19 H16 Cl N3 O4 S2 |
| Smiles: | CC1=C(C(N2C(=N1)Sc1cc(C)ccc12)=O)S(Nc1ccc(c(c1)[Cl])OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.607 |
| logD: | 0.401 |
| logSw: | -3.8906 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.964 |
| InChI Key: | FQTHGXOTCVQBBF-UHFFFAOYSA-N |