3-[(4-acetylanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
3-[(4-acetylanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
3-[(4-acetylanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | E745-0029 |
| Compound Name: | 3-[(4-acetylanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C25 H22 N2 O4 S |
| Smiles: | CC(c1ccc(cc1)N\C=C1/C(c2ccccc2N(Cc2ccc(C)cc2)S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9777 |
| logD: | 3.9757 |
| logSw: | -4.1698 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.336 |
| InChI Key: | XLCLHCJRGANLNI-UHFFFAOYSA-N |