methyl 4-methoxy-3-({1,1,3-trioxo-2-[4-(propan-2-yl)phenyl]-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl}methyl)benzoate
Chemical Structure Depiction of
methyl 4-methoxy-3-({1,1,3-trioxo-2-[4-(propan-2-yl)phenyl]-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl}methyl)benzoate
methyl 4-methoxy-3-({1,1,3-trioxo-2-[4-(propan-2-yl)phenyl]-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl}methyl)benzoate
Compound characteristics
| Compound ID: | K261-2903 |
| Compound Name: | methyl 4-methoxy-3-({1,1,3-trioxo-2-[4-(propan-2-yl)phenyl]-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl}methyl)benzoate |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C26 H26 N2 O6 S |
| Smiles: | CC(C)c1ccc(cc1)N1C(N(Cc2cc(ccc2OC)C(=O)OC)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6221 |
| logD: | 5.6221 |
| logSw: | -5.4612 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.547 |
| InChI Key: | CSCFLBFFMQFNQC-UHFFFAOYSA-N |