3-[(3,4-dimethoxyanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
3-[(3,4-dimethoxyanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
3-[(3,4-dimethoxyanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | E745-0016 |
| Compound Name: | 3-[(3,4-dimethoxyanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 464.54 |
| Molecular Formula: | C25 H24 N2 O5 S |
| Smiles: | Cc1ccc(CN2c3ccccc3C(/C(=C\Nc3ccc(c(c3)OC)OC)S2(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8499 |
| logD: | 3.8496 |
| logSw: | -4.0272 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.77 |
| InChI Key: | CTNFNNUVFUQSIQ-UHFFFAOYSA-N |