methyl 3-{[2-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}-4-methoxybenzoate
methyl 3-{[2-(3,4-dimethoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}-4-methoxybenzoate
Compound characteristics
| Compound ID: | K261-2639 |
| Compound Name: | methyl 3-{[2-(3,4-dimethoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}-4-methoxybenzoate |
| Molecular Weight: | 512.54 |
| Molecular Formula: | C25 H24 N2 O8 S |
| Smiles: | COC(c1ccc(c(CN2C(N(c3ccc(c(c3)OC)OC)S(c3ccccc23)(=O)=O)=O)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.92 |
| logD: | 3.92 |
| logSw: | -4.0912 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 90.808 |
| InChI Key: | PGRPWGXFVMLYSZ-UHFFFAOYSA-N |