4-[(4-nitrophenyl)methyl]-2-[4-(propan-2-yl)phenyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Chemical Structure Depiction of
4-[(4-nitrophenyl)methyl]-2-[4-(propan-2-yl)phenyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
4-[(4-nitrophenyl)methyl]-2-[4-(propan-2-yl)phenyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Compound characteristics
| Compound ID: | K261-2894 |
| Compound Name: | 4-[(4-nitrophenyl)methyl]-2-[4-(propan-2-yl)phenyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C23 H21 N3 O5 S |
| Smiles: | CC(C)c1ccc(cc1)N1C(N(Cc2ccc(cc2)[N+]([O-])=O)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5185 |
| logD: | 5.5185 |
| logSw: | -5.3607 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.124 |
| InChI Key: | SWFDCCBLQLBODA-UHFFFAOYSA-N |