methyl 3-[(1,1-dioxo-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl)methyl]-4-methoxybenzoate
Chemical Structure Depiction of
methyl 3-[(1,1-dioxo-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl)methyl]-4-methoxybenzoate
methyl 3-[(1,1-dioxo-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl)methyl]-4-methoxybenzoate
Compound characteristics
| Compound ID: | K261-1533 |
| Compound Name: | methyl 3-[(1,1-dioxo-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl)methyl]-4-methoxybenzoate |
| Molecular Weight: | 360.39 |
| Molecular Formula: | C17 H16 N2 O5 S |
| Smiles: | COC(c1ccc(c(CN2C=NS(c3ccccc23)(=O)=O)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5433 |
| logD: | 2.5433 |
| logSw: | -2.9044 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.27 |
| InChI Key: | AACSKAZTAMPGNW-UHFFFAOYSA-N |