2,8-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Chemical Structure Depiction of
2,8-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
2,8-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Compound characteristics
| Compound ID: | L150-0053 |
| Compound Name: | 2,8-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide |
| Molecular Weight: | 475.54 |
| Molecular Formula: | C21 H21 N3 O6 S2 |
| Smiles: | CC1=C(C(N2C(=N1)Sc1cc(C)ccc12)=O)S(Nc1cc(c(c(c1)OC)OC)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3376 |
| logD: | -0.9466 |
| logSw: | -2.9704 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.311 |
| InChI Key: | GSTXIMRSYVIWDB-UHFFFAOYSA-N |