2-(2,5-dimethylphenyl)-4-[(3-nitrophenyl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Chemical Structure Depiction of
2-(2,5-dimethylphenyl)-4-[(3-nitrophenyl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
2-(2,5-dimethylphenyl)-4-[(3-nitrophenyl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Compound characteristics
| Compound ID: | K261-1225 |
| Compound Name: | 2-(2,5-dimethylphenyl)-4-[(3-nitrophenyl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione |
| Molecular Weight: | 437.47 |
| Molecular Formula: | C22 H19 N3 O5 S |
| Smiles: | Cc1ccc(C)c(c1)N1C(N(Cc2cccc(c2)[N+]([O-])=O)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0589 |
| logD: | 5.0589 |
| logSw: | -4.6917 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.823 |
| InChI Key: | QQALKZQDGPLZIM-UHFFFAOYSA-N |