4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-ethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-ethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-ethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Compound characteristics
| Compound ID: | C200-9269 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-ethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C23 H20 N2 O5 S |
| Smiles: | CCc1ccc(cc1)N1C(N(Cc2ccc3c(c2)OCO3)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0565 |
| logD: | 5.0565 |
| logSw: | -4.6096 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.858 |
| InChI Key: | RUSOQNCZPQOVAR-UHFFFAOYSA-N |