N-(3-chloro-4-methoxyphenyl)-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
N-(3-chloro-4-methoxyphenyl)-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Compound characteristics
| Compound ID: | C301-8888 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide |
| Molecular Weight: | 435.91 |
| Molecular Formula: | C18 H14 Cl N3 O4 S2 |
| Smiles: | CC1=C(C(N2C(=N1)Sc1ccccc12)=O)S(Nc1ccc(c(c1)[Cl])OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.023 |
| logD: | -0.183 |
| logSw: | -3.5426 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.964 |
| InChI Key: | VSLWVHPNAWHMMC-UHFFFAOYSA-N |