1-benzyl-3-[(4-nitroanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
1-benzyl-3-[(4-nitroanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
1-benzyl-3-[(4-nitroanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | C200-3303 |
| Compound Name: | 1-benzyl-3-[(4-nitroanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C22 H17 N3 O5 S |
| Smiles: | C(c1ccccc1)N1c2ccccc2C(/C(=C/Nc2ccc(cc2)[N+]([O-])=O)S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9379 |
| logD: | 3.9241 |
| logSw: | -4.2541 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.891 |
| InChI Key: | ZPZUOXUPKDCZLD-UHFFFAOYSA-N |