3-[(3-chloro-2-methylanilino)methylidene]-1-[(3-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
3-[(3-chloro-2-methylanilino)methylidene]-1-[(3-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
3-[(3-chloro-2-methylanilino)methylidene]-1-[(3-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | C200-4130 |
| Compound Name: | 3-[(3-chloro-2-methylanilino)methylidene]-1-[(3-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 452.96 |
| Molecular Formula: | C24 H21 Cl N2 O3 S |
| Smiles: | Cc1cccc(CN2c3ccccc3C(/C(=C\Nc3cccc(c3C)[Cl])S2(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.693 |
| logD: | 5.6909 |
| logSw: | -5.7826 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.812 |
| InChI Key: | LMUDRFXDNZZHHE-UHFFFAOYSA-N |