2-(4-acetylphenyl)-4-[(4-nitrophenyl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Chemical Structure Depiction of
2-(4-acetylphenyl)-4-[(4-nitrophenyl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
2-(4-acetylphenyl)-4-[(4-nitrophenyl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Compound characteristics
| Compound ID: | K261-1868 |
| Compound Name: | 2-(4-acetylphenyl)-4-[(4-nitrophenyl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione |
| Molecular Weight: | 451.46 |
| Molecular Formula: | C22 H17 N3 O6 S |
| Smiles: | CC(c1ccc(cc1)N1C(N(Cc2ccc(cc2)[N+]([O-])=O)c2ccccc2S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7224 |
| logD: | 3.7224 |
| logSw: | -4.0074 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.951 |
| InChI Key: | MQMSRNDYRAWFSY-UHFFFAOYSA-N |