3-{4-[4-(2-chloro-5-methylphenyl)piperazin-1-yl]-2-methyl-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-{4-[4-(2-chloro-5-methylphenyl)piperazin-1-yl]-2-methyl-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
3-{4-[4-(2-chloro-5-methylphenyl)piperazin-1-yl]-2-methyl-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | K261-0687 |
| Compound Name: | 3-{4-[4-(2-chloro-5-methylphenyl)piperazin-1-yl]-2-methyl-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione |
| Molecular Weight: | 475.01 |
| Molecular Formula: | C23 H27 Cl N4 O3 S |
| Smiles: | CC(CC1NS(c2ccccc2N=1)(=O)=O)CC(N1CCN(CC1)c1cc(C)ccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3991 |
| logD: | 2.9591 |
| logSw: | -3.6427 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.976 |
| InChI Key: | UTQGNNXBTDTVJE-QGZVFWFLSA-N |