2-[2-(3,5-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]-N-propylacetamide
Chemical Structure Depiction of
2-[2-(3,5-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]-N-propylacetamide
2-[2-(3,5-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]-N-propylacetamide
Compound characteristics
| Compound ID: | K261-2521 |
| Compound Name: | 2-[2-(3,5-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]-N-propylacetamide |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C20 H23 N3 O4 S |
| Smiles: | CCCNC(CN1C(N(c2cc(C)cc(C)c2)S(c2ccccc12)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2771 |
| logD: | 3.2771 |
| logSw: | -3.6308 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.327 |
| InChI Key: | XTQHCZKMFFMNNI-UHFFFAOYSA-N |