2-[2-(2,4-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]-N,N-diethylacetamide
Chemical Structure Depiction of
2-[2-(2,4-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]-N,N-diethylacetamide
2-[2-(2,4-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]-N,N-diethylacetamide
Compound characteristics
Compound ID: | K261-2723 |
Compound Name: | 2-[2-(2,4-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]-N,N-diethylacetamide |
Molecular Weight: | 415.51 |
Molecular Formula: | C21 H25 N3 O4 S |
Smiles: | CCN(CC)C(CN1C(N(c2ccc(C)cc2C)S(c2ccccc12)(=O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.5529 |
logD: | 3.5529 |
logSw: | -3.7866 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 62.118 |
InChI Key: | QYJACXXXZUHJEF-UHFFFAOYSA-N |