3-[(4-acetylanilino)methylidene]-1-benzyl-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
3-[(4-acetylanilino)methylidene]-1-benzyl-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
3-[(4-acetylanilino)methylidene]-1-benzyl-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | E745-0081 |
| Compound Name: | 3-[(4-acetylanilino)methylidene]-1-benzyl-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 432.5 |
| Molecular Formula: | C24 H20 N2 O4 S |
| Smiles: | CC(c1ccc(cc1)N\C=C1/C(c2ccccc2N(Cc2ccccc2)S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5544 |
| logD: | 3.5523 |
| logSw: | -3.9716 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.336 |
| InChI Key: | MUJDBARCGVLKDD-UHFFFAOYSA-N |