1-benzyl-3-[(4-bromoanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
1-benzyl-3-[(4-bromoanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
1-benzyl-3-[(4-bromoanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | E745-0083 |
| Compound Name: | 1-benzyl-3-[(4-bromoanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 469.36 |
| Molecular Formula: | C22 H17 Br N2 O3 S |
| Smiles: | C(c1ccccc1)N1c2ccccc2C(/C(=C\Nc2ccc(cc2)[Br])S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8462 |
| logD: | 4.8451 |
| logSw: | -4.8416 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.509 |
| InChI Key: | WEPQDDBOPUNOID-UHFFFAOYSA-N |