3-[(4-ethoxyanilino)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-[(4-ethoxyanilino)methylidene]-1-[(4-fluorophenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
3-[(4-ethoxyanilino)methylidene]-1-[(4-fluorophenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
Compound characteristics
Compound ID: | E953-0347 |
Compound Name: | 3-[(4-ethoxyanilino)methylidene]-1-[(4-fluorophenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione |
Molecular Weight: | 458.53 |
Molecular Formula: | C22 H19 F N2 O4 S2 |
Smiles: | CCOc1ccc(cc1)N/C=C1/C(c2c(ccs2)N(Cc2ccc(cc2)F)S1(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.5089 |
logD: | 4.5088 |
logSw: | -4.1317 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.651 |
InChI Key: | TULKTQJHMRFYCY-UHFFFAOYSA-N |