4-[(2-chloro-4-fluorophenyl)methyl]-2-[3-(methylsulfanyl)phenyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Chemical Structure Depiction of
4-[(2-chloro-4-fluorophenyl)methyl]-2-[3-(methylsulfanyl)phenyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
4-[(2-chloro-4-fluorophenyl)methyl]-2-[3-(methylsulfanyl)phenyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Compound characteristics
| Compound ID: | K261-2919 |
| Compound Name: | 4-[(2-chloro-4-fluorophenyl)methyl]-2-[3-(methylsulfanyl)phenyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione |
| Molecular Weight: | 462.95 |
| Molecular Formula: | C21 H16 Cl F N2 O3 S2 |
| Smiles: | CSc1cccc(c1)N1C(N(Cc2ccc(cc2[Cl])F)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3861 |
| logD: | 5.3861 |
| logSw: | -5.7985 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.743 |
| InChI Key: | BJFOJGCLBVVJAF-UHFFFAOYSA-N |