3-[(3-chloro-2-methylanilino)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-2-methylanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
3-[(3-chloro-2-methylanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | E953-0130 |
| Compound Name: | 3-[(3-chloro-2-methylanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 458.98 |
| Molecular Formula: | C22 H19 Cl N2 O3 S2 |
| Smiles: | Cc1ccc(CN2c3ccsc3C(/C(=C/Nc3cccc(c3C)[Cl])S2(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5684 |
| logD: | 5.5651 |
| logSw: | -5.8282 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.83 |
| InChI Key: | ILFKPRQCBUXZGA-UHFFFAOYSA-N |