3-[(cyclohexylamino)methylidene]-1-[(3-fluorophenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
3-[(cyclohexylamino)methylidene]-1-[(3-fluorophenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
3-[(cyclohexylamino)methylidene]-1-[(3-fluorophenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
Compound characteristics
Compound ID: | E953-0437 |
Compound Name: | 3-[(cyclohexylamino)methylidene]-1-[(3-fluorophenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione |
Molecular Weight: | 420.52 |
Molecular Formula: | C20 H21 F N2 O3 S2 |
Smiles: | C1CCC(CC1)N/C=C1/C(c2c(ccs2)N(Cc2cccc(c2)F)S1(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.3475 |
logD: | 4.3475 |
logSw: | -4.3259 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.575 |
InChI Key: | QLSQBUVZMMWWDN-UHFFFAOYSA-N |