3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}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-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methylidene)-1-[(4-fluorophenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methylidene)-1-[(4-fluorophenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | E953-0351 |
| Compound Name: | 3-({[(2H-1,3-benzodioxol-5-yl)methyl]amino}methylidene)-1-[(4-fluorophenyl)methyl]-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 472.51 |
| Molecular Formula: | C22 H17 F N2 O5 S2 |
| Smiles: | C(c1ccc2c(c1)OCO2)N/C=C1/C(c2c(ccs2)N(Cc2ccc(cc2)F)S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1303 |
| logD: | 3.1303 |
| logSw: | -3.4644 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.174 |
| InChI Key: | MHENMYPLRVGHSW-UHFFFAOYSA-N |