N-[4-(4-chlorophenoxy)phenyl]-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Chemical Structure Depiction of
N-[4-(4-chlorophenoxy)phenyl]-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
N-[4-(4-chlorophenoxy)phenyl]-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Compound characteristics
| Compound ID: | F441-0087 |
| Compound Name: | N-[4-(4-chlorophenoxy)phenyl]-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide |
| Molecular Weight: | 497.98 |
| Molecular Formula: | C23 H16 Cl N3 O4 S2 |
| Smiles: | CC1=C(C(N2C(=N1)Sc1ccccc12)=O)S(Nc1ccc(cc1)Oc1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8588 |
| logD: | 3.6834 |
| logSw: | -4.9489 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.081 |
| InChI Key: | HBMRERQSYXEBOD-UHFFFAOYSA-N |