1-[(4-chlorophenyl)methyl]-3-[(3,4-dimethoxyanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
1-[(4-chlorophenyl)methyl]-3-[(3,4-dimethoxyanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
1-[(4-chlorophenyl)methyl]-3-[(3,4-dimethoxyanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | E745-0120 |
| Compound Name: | 1-[(4-chlorophenyl)methyl]-3-[(3,4-dimethoxyanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 484.96 |
| Molecular Formula: | C24 H21 Cl N2 O5 S |
| Smiles: | COc1ccc(cc1OC)N\C=C1/C(c2ccccc2N(Cc2ccc(cc2)[Cl])S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0213 |
| logD: | 4.0209 |
| logSw: | -4.4676 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.77 |
| InChI Key: | ZYUWEBZCEMZMEV-UHFFFAOYSA-N |