4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Compound characteristics
Compound ID: | C200-9268 |
Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione |
Molecular Weight: | 422.46 |
Molecular Formula: | C22 H18 N2 O5 S |
Smiles: | Cc1ccc(cc1)N1C(N(Cc2ccc3c(c2)OCO3)c2ccccc2S1(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.5492 |
logD: | 4.5492 |
logSw: | -4.3373 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 63.858 |
InChI Key: | BTNUCDITVWIUSR-UHFFFAOYSA-N |