1-[(4-chlorophenyl)methyl]-3-[(3,4-dimethoxyanilino)methylidene]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
1-[(4-chlorophenyl)methyl]-3-[(3,4-dimethoxyanilino)methylidene]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
1-[(4-chlorophenyl)methyl]-3-[(3,4-dimethoxyanilino)methylidene]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | E953-0227 |
| Compound Name: | 1-[(4-chlorophenyl)methyl]-3-[(3,4-dimethoxyanilino)methylidene]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 490.98 |
| Molecular Formula: | C22 H19 Cl N2 O5 S2 |
| Smiles: | COc1ccc(cc1OC)N/C=C1/C(c2c(ccs2)N(Cc2ccc(cc2)[Cl])S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1198 |
| logD: | 4.1193 |
| logSw: | -4.52 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.789 |
| InChI Key: | KDEBALINSIUHIM-UHFFFAOYSA-N |