N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Chemical Structure Depiction of
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Compound characteristics
| Compound ID: | F441-0009 |
| Compound Name: | N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide |
| Molecular Weight: | 449.93 |
| Molecular Formula: | C19 H16 Cl N3 O4 S2 |
| Smiles: | CC1=C(C(N2C(=N1)Sc1ccccc12)=O)S(Nc1cc(C)c(cc1OC)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6344 |
| logD: | -0.4299 |
| logSw: | -3.9693 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.266 |
| InChI Key: | MWHFGYMNFIKPCS-UHFFFAOYSA-N |