2-[2-(3,4-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]-N-(3-methylbutyl)acetamide
Chemical Structure Depiction of
2-[2-(3,4-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]-N-(3-methylbutyl)acetamide
2-[2-(3,4-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]-N-(3-methylbutyl)acetamide
Compound characteristics
| Compound ID: | K261-2518 |
| Compound Name: | 2-[2-(3,4-dimethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]-N-(3-methylbutyl)acetamide |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C22 H27 N3 O4 S |
| Smiles: | CC(C)CCNC(CN1C(N(c2ccc(C)c(C)c2)S(c2ccccc12)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2169 |
| logD: | 4.2169 |
| logSw: | -4.1258 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.327 |
| InChI Key: | IOTSYLZPSDHNGL-UHFFFAOYSA-N |