1-[(3-fluorophenyl)methyl]-3-{[3-(trifluoromethyl)anilino]methylidene}-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
1-[(3-fluorophenyl)methyl]-3-{[3-(trifluoromethyl)anilino]methylidene}-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
1-[(3-fluorophenyl)methyl]-3-{[3-(trifluoromethyl)anilino]methylidene}-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
Compound characteristics
Compound ID: | E953-0431 |
Compound Name: | 1-[(3-fluorophenyl)methyl]-3-{[3-(trifluoromethyl)anilino]methylidene}-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione |
Molecular Weight: | 482.47 |
Molecular Formula: | C21 H14 F4 N2 O3 S2 |
Smiles: | C(c1cccc(c1)F)N1c2ccsc2C(/C(=C/Nc2cccc(c2)C(F)(F)F)S1(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.1556 |
logD: | 5.1493 |
logSw: | -5.5704 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.528 |
InChI Key: | XAHNGXOAQSSFMI-UHFFFAOYSA-N |