methyl 2-{[2-(2,5-difluorophenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}-4-methoxybenzoate
Chemical Structure Depiction of
methyl 2-{[2-(2,5-difluorophenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}-4-methoxybenzoate
methyl 2-{[2-(2,5-difluorophenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}-4-methoxybenzoate
Compound characteristics
| Compound ID: | K261-2796 |
| Compound Name: | methyl 2-{[2-(2,5-difluorophenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}-4-methoxybenzoate |
| Molecular Weight: | 488.47 |
| Molecular Formula: | C23 H18 F2 N2 O6 S |
| Smiles: | COC(c1ccc(cc1CN1C(N(c2cc(ccc2F)F)S(c2ccccc12)(=O)=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4273 |
| logD: | 4.4273 |
| logSw: | -4.4096 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.159 |
| InChI Key: | ICWGIMLTCAKJFP-UHFFFAOYSA-N |