3-[(5-chloro-2,4-dimethoxyanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
3-[(5-chloro-2,4-dimethoxyanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
3-[(5-chloro-2,4-dimethoxyanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | E953-0174 |
| Compound Name: | 3-[(5-chloro-2,4-dimethoxyanilino)methylidene]-1-[(4-methylphenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 505.01 |
| Molecular Formula: | C23 H21 Cl N2 O5 S2 |
| Smiles: | Cc1ccc(CN2c3ccsc3C(/C(=C/Nc3cc(c(cc3OC)OC)[Cl])S2(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0534 |
| logD: | 4.9545 |
| logSw: | -5.3156 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.091 |
| InChI Key: | VRWUHKXXXMGCMR-UHFFFAOYSA-N |