1-benzyl-3-[(2-ethoxyanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
1-benzyl-3-[(2-ethoxyanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
1-benzyl-3-[(2-ethoxyanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Compound characteristics
Compound ID: | E745-0092 |
Compound Name: | 1-benzyl-3-[(2-ethoxyanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione |
Molecular Weight: | 434.51 |
Molecular Formula: | C24 H22 N2 O4 S |
Smiles: | CCOc1ccccc1N\C=C1/C(c2ccccc2N(Cc2ccccc2)S1(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.2832 |
logD: | 4.2827 |
logSw: | -4.33 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.022 |
InChI Key: | QQNMXWYVVQEGCO-UHFFFAOYSA-N |