3-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Chemical Structure Depiction of
3-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
3-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Compound characteristics
| Compound ID: | C301-8889 |
| Compound Name: | 3-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one |
| Molecular Weight: | 468.6 |
| Molecular Formula: | C23 H24 N4 O3 S2 |
| Smiles: | CC1=C(C(N2C(=N1)Sc1ccccc12)=O)S(N1CCN(CC1)c1cc(C)ccc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5895 |
| logD: | 3.5895 |
| logSw: | -3.7962 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.354 |
| InChI Key: | DTNLNPQJZMJXIO-UHFFFAOYSA-N |