1-benzyl-3-[(5-chloro-2,4-dimethoxyanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
1-benzyl-3-[(5-chloro-2,4-dimethoxyanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
1-benzyl-3-[(5-chloro-2,4-dimethoxyanilino)methylidene]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | E745-0091 |
| Compound Name: | 1-benzyl-3-[(5-chloro-2,4-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: | COc1cc(c(cc1N\C=C1/C(c2ccccc2N(Cc2ccccc2)S1(=O)=O)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 4.5314 |
| logD: | 4.4637 |
| logSw: | -4.6851 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.072 |
| InChI Key: | YLFDNOAUVKTQTJ-UHFFFAOYSA-N |