4-[({1-[(4-chlorophenyl)methyl]-2,2,4-trioxo-1,4-dihydro-2lambda~6~,1-benzothiazin-3(2H)-ylidene}methyl)amino]benzene-1-sulfonamide
Chemical Structure Depiction of
4-[({1-[(4-chlorophenyl)methyl]-2,2,4-trioxo-1,4-dihydro-2lambda~6~,1-benzothiazin-3(2H)-ylidene}methyl)amino]benzene-1-sulfonamide
4-[({1-[(4-chlorophenyl)methyl]-2,2,4-trioxo-1,4-dihydro-2lambda~6~,1-benzothiazin-3(2H)-ylidene}methyl)amino]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E745-0142 |
| Compound Name: | 4-[({1-[(4-chlorophenyl)methyl]-2,2,4-trioxo-1,4-dihydro-2lambda~6~,1-benzothiazin-3(2H)-ylidene}methyl)amino]benzene-1-sulfonamide |
| Molecular Weight: | 503.98 |
| Molecular Formula: | C22 H18 Cl N3 O5 S2 |
| Smiles: | C(c1ccc(cc1)[Cl])N1c2ccccc2C(/C(=C\Nc2ccc(cc2)S(N)(=O)=O)S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9676 |
| logD: | 2.9631 |
| logSw: | -3.997 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.113 |
| InChI Key: | VYDNEEYKJQWGST-UHFFFAOYSA-N |