methyl 3-{[2-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}-4-methoxybenzoate
methyl 3-{[2-(4-ethoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}-4-methoxybenzoate
Compound characteristics
| Compound ID: | K261-2245 |
| Compound Name: | methyl 3-{[2-(4-ethoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}-4-methoxybenzoate |
| Molecular Weight: | 496.54 |
| Molecular Formula: | C25 H24 N2 O7 S |
| Smiles: | CCOc1ccc(cc1)N1C(N(Cc2cc(ccc2OC)C(=O)OC)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6529 |
| logD: | 4.6529 |
| logSw: | -4.3639 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.671 |
| InChI Key: | OEOLTXCWKBXORC-UHFFFAOYSA-N |