1-benzyl-3-[(3-chloro-4-fluoroanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
1-benzyl-3-[(3-chloro-4-fluoroanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
1-benzyl-3-[(3-chloro-4-fluoroanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | C200-3216 |
| Compound Name: | 1-benzyl-3-[(3-chloro-4-fluoroanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 442.89 |
| Molecular Formula: | C22 H16 Cl F N2 O3 S |
| Smiles: | C(c1ccccc1)N1c2ccccc2C(/C(=C/Nc2ccc(c(c2)[Cl])F)S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6218 |
| logD: | 4.5501 |
| logSw: | -4.795 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.509 |
| InChI Key: | ZCKDSFFHDMULAW-UHFFFAOYSA-N |