3-{4-[4-(4-acetylphenyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-{4-[4-(4-acetylphenyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
3-{4-[4-(4-acetylphenyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | K261-0584 |
| Compound Name: | 3-{4-[4-(4-acetylphenyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione |
| Molecular Weight: | 482.6 |
| Molecular Formula: | C25 H30 N4 O4 S |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(CC(C)(C)CC1NS(c2ccccc2N=1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0055 |
| logD: | 1.4311 |
| logSw: | -2.6036 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.104 |
| InChI Key: | ZWLULEIXFSQHPH-UHFFFAOYSA-N |