methyl 3-[(2-benzyl-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl)methyl]-4-methoxybenzoate
Chemical Structure Depiction of
methyl 3-[(2-benzyl-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl)methyl]-4-methoxybenzoate
methyl 3-[(2-benzyl-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl)methyl]-4-methoxybenzoate
Compound characteristics
| Compound ID: | K261-1604 |
| Compound Name: | methyl 3-[(2-benzyl-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl)methyl]-4-methoxybenzoate |
| Molecular Weight: | 466.51 |
| Molecular Formula: | C24 H22 N2 O6 S |
| Smiles: | COC(c1ccc(c(CN2C(N(Cc3ccccc3)S(c3ccccc23)(=O)=O)=O)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.203 |
| logD: | 4.203 |
| logSw: | -4.3516 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.763 |
| InChI Key: | HRBSXOIIYLFAOC-UHFFFAOYSA-N |