4-[({1-[(4-fluorophenyl)methyl]-2,2,4-trioxo-1,4-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-3(2H)-ylidene}methyl)amino]benzene-1-sulfonamide
Chemical Structure Depiction of
4-[({1-[(4-fluorophenyl)methyl]-2,2,4-trioxo-1,4-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-3(2H)-ylidene}methyl)amino]benzene-1-sulfonamide
4-[({1-[(4-fluorophenyl)methyl]-2,2,4-trioxo-1,4-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-3(2H)-ylidene}methyl)amino]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E953-0391 |
| Compound Name: | 4-[({1-[(4-fluorophenyl)methyl]-2,2,4-trioxo-1,4-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-3(2H)-ylidene}methyl)amino]benzene-1-sulfonamide |
| Molecular Weight: | 493.55 |
| Molecular Formula: | C20 H16 F N3 O5 S3 |
| Smiles: | C(c1ccc(cc1)F)N1c2ccsc2C(/C(=C/Nc2ccc(cc2)S(N)(=O)=O)S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5005 |
| logD: | 2.4937 |
| logSw: | -2.8963 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.131 |
| InChI Key: | IKJNKMVYVHFRCZ-UHFFFAOYSA-N |