3-[(3-chloro-4-fluoroanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
3-[(3-chloro-4-fluoroanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
3-[(3-chloro-4-fluoroanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | E953-0118 |
| Compound Name: | 3-[(3-chloro-4-fluoroanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 462.95 |
| Molecular Formula: | C21 H16 Cl F N2 O3 S2 |
| Smiles: | Cc1ccc(CN2c3ccsc3C(/C(=C/Nc3ccc(c(c3)[Cl])F)S2(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1437 |
| logD: | 5.0393 |
| logSw: | -5.5949 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.528 |
| InChI Key: | MISVKWJUKZYYLW-UHFFFAOYSA-N |