N-(2-bromophenyl)-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Chemical Structure Depiction of
N-(2-bromophenyl)-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
N-(2-bromophenyl)-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Compound characteristics
| Compound ID: | F441-0067 |
| Compound Name: | N-(2-bromophenyl)-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide |
| Molecular Weight: | 450.33 |
| Molecular Formula: | C17 H12 Br N3 O3 S2 |
| Smiles: | CC1=C(C(N2C(=N1)Sc1ccccc12)=O)S(Nc1ccccc1[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9357 |
| logD: | 0.9525 |
| logSw: | -3.5506 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.635 |
| InChI Key: | ZRSTUUZLTUZBQH-UHFFFAOYSA-N |