2-(3,5-dimethoxyphenyl)-4-[(3-nitrophenyl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Chemical Structure Depiction of
2-(3,5-dimethoxyphenyl)-4-[(3-nitrophenyl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
2-(3,5-dimethoxyphenyl)-4-[(3-nitrophenyl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Compound characteristics
| Compound ID: | K261-1106 |
| Compound Name: | 2-(3,5-dimethoxyphenyl)-4-[(3-nitrophenyl)methyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione |
| Molecular Weight: | 469.47 |
| Molecular Formula: | C22 H19 N3 O7 S |
| Smiles: | COc1cc(cc(c1)OC)N1C(N(Cc2cccc(c2)[N+]([O-])=O)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4527 |
| logD: | 4.4527 |
| logSw: | -4.4124 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.212 |
| InChI Key: | VBKMOEVQXNCHQY-UHFFFAOYSA-N |