3-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
3-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | K261-0679 |
| Compound Name: | 3-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione |
| Molecular Weight: | 456.56 |
| Molecular Formula: | C23 H28 N4 O4 S |
| Smiles: | CC(CC1NS(c2ccccc2N=1)(=O)=O)CC(N1CCN(CC1)c1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2767 |
| logD: | 1.8367 |
| logSw: | -2.7692 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.606 |
| InChI Key: | KACSCMUNYCYSJC-QGZVFWFLSA-N |