3-[(3,4-dimethoxyanilino)methylidene]-1-[(4-fluorophenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
3-[(3,4-dimethoxyanilino)methylidene]-1-[(4-fluorophenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
3-[(3,4-dimethoxyanilino)methylidene]-1-[(4-fluorophenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
Compound characteristics
Compound ID: | E953-0330 |
Compound Name: | 3-[(3,4-dimethoxyanilino)methylidene]-1-[(4-fluorophenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione |
Molecular Weight: | 474.53 |
Molecular Formula: | C22 H19 F N2 O5 S2 |
Smiles: | COc1ccc(cc1OC)N/C=C1/C(c2c(ccs2)N(Cc2ccc(cc2)F)S1(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.5542 |
logD: | 3.5537 |
logSw: | -3.9388 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.789 |
InChI Key: | KMKVLPNRLXWGHL-UHFFFAOYSA-N |