3-[(5-chloro-2,4-dimethoxyanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
3-[(5-chloro-2,4-dimethoxyanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
3-[(5-chloro-2,4-dimethoxyanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | E745-0039 |
| Compound Name: | 3-[(5-chloro-2,4-dimethoxyanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 498.98 |
| Molecular Formula: | C25 H23 Cl N2 O5 S |
| Smiles: | Cc1ccc(CN2c3ccccc3C(/C(=C\Nc3cc(c(cc3OC)OC)[Cl])S2(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9548 |
| logD: | 4.8871 |
| logSw: | -4.9752 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.072 |
| InChI Key: | XOTMHEGQJLGLPS-UHFFFAOYSA-N |