N-[2-(4-chlorophenyl)ethyl]-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
N-[2-(4-chlorophenyl)ethyl]-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Compound characteristics
| Compound ID: | C301-8900 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide |
| Molecular Weight: | 433.93 |
| Molecular Formula: | C19 H16 Cl N3 O3 S2 |
| Smiles: | CC1=C(C(N2C(=N1)Sc1ccccc12)=O)S(NCCc1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0226 |
| logD: | 3.0221 |
| logSw: | -3.6218 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.283 |
| InChI Key: | YJWSYACRFLVZIX-UHFFFAOYSA-N |