methyl 4-methoxy-2-{[2-(3-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-methoxy-2-{[2-(3-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzoate
methyl 4-methoxy-2-{[2-(3-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzoate
Compound characteristics
| Compound ID: | K261-1911 |
| Compound Name: | methyl 4-methoxy-2-{[2-(3-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzoate |
| Molecular Weight: | 466.51 |
| Molecular Formula: | C24 H22 N2 O6 S |
| Smiles: | Cc1cccc(c1)N1C(N(Cc2cc(ccc2C(=O)OC)OC)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7366 |
| logD: | 4.7366 |
| logSw: | -4.6141 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.46 |
| InChI Key: | PYIBKQNGNWZAIH-UHFFFAOYSA-N |