4-[({1-[(4-methylphenyl)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-methylphenyl)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-methylphenyl)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: | E953-0185 |
| Compound Name: | 4-[({1-[(4-methylphenyl)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: | 489.59 |
| Molecular Formula: | C21 H19 N3 O5 S3 |
| Smiles: | Cc1ccc(CN2c3ccsc3C(/C(=C/Nc3ccc(cc3)S(N)(=O)=O)S2(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8948 |
| logD: | 2.888 |
| logSw: | -3.7279 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.131 |
| InChI Key: | PYLRURBMFBVHHR-UHFFFAOYSA-N |