2-(3,4-dimethylphenyl)-4-[2-(3-nitrophenyl)-2-oxoethyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-4-[2-(3-nitrophenyl)-2-oxoethyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
2-(3,4-dimethylphenyl)-4-[2-(3-nitrophenyl)-2-oxoethyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Compound characteristics
| Compound ID: | K261-1294 |
| Compound Name: | 2-(3,4-dimethylphenyl)-4-[2-(3-nitrophenyl)-2-oxoethyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione |
| Molecular Weight: | 465.48 |
| Molecular Formula: | C23 H19 N3 O6 S |
| Smiles: | Cc1ccc(cc1C)N1C(N(CC(c2cccc(c2)[N+]([O-])=O)=O)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8961 |
| logD: | 4.8961 |
| logSw: | -4.6525 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.371 |
| InChI Key: | DWISTIQXRNUATB-UHFFFAOYSA-N |