methyl 3-{[2-(5-chloro-2-methylphenyl)-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-(5-chloro-2-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}-4-methoxybenzoate
methyl 3-{[2-(5-chloro-2-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}-4-methoxybenzoate
Compound characteristics
| Compound ID: | K261-1677 |
| Compound Name: | methyl 3-{[2-(5-chloro-2-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}-4-methoxybenzoate |
| Molecular Weight: | 500.96 |
| Molecular Formula: | C24 H21 Cl N2 O6 S |
| Smiles: | Cc1ccc(cc1N1C(N(Cc2cc(ccc2OC)C(=O)OC)c2ccccc2S1(=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.3507 |
| logD: | 5.3507 |
| logSw: | -5.7799 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.246 |
| InChI Key: | ATWXUGSLTODSMV-UHFFFAOYSA-N |