N-(4-bromo-3-methylphenyl)-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
N-(4-bromo-3-methylphenyl)-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Compound characteristics
| Compound ID: | C301-8901 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide |
| Molecular Weight: | 464.36 |
| Molecular Formula: | C18 H14 Br N3 O3 S2 |
| Smiles: | CC1=C(C(N2C(=N1)Sc1ccccc12)=O)S(Nc1ccc(c(C)c1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6869 |
| logD: | 1.0677 |
| logSw: | -3.974 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.333 |
| InChI Key: | FGNQYPBMYDEZEY-UHFFFAOYSA-N |