4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3,4-dimethoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3,4-dimethoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3,4-dimethoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Compound characteristics
| Compound ID: | C200-9385 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3,4-dimethoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione |
| Molecular Weight: | 468.48 |
| Molecular Formula: | C23 H20 N2 O7 S |
| Smiles: | COc1ccc(cc1OC)N1C(N(Cc2ccc3c(c2)OCO3)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7619 |
| logD: | 3.7619 |
| logSw: | -3.9884 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.119 |
| InChI Key: | IUERFEOXVHVFER-UHFFFAOYSA-N |