3-[(3-methylanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
3-[(3-methylanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
3-[(3-methylanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | E745-0003 |
| Compound Name: | 3-[(3-methylanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C24 H22 N2 O3 S |
| Smiles: | Cc1ccc(CN2c3ccccc3C(/C(=C\Nc3cccc(C)c3)S2(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.675 |
| logD: | 4.6749 |
| logSw: | -4.5164 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.509 |
| InChI Key: | ZXRRIQMXICVPOB-UHFFFAOYSA-N |