3-{4-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-{4-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
3-{4-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | K261-0653 |
| Compound Name: | 3-{4-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione |
| Molecular Weight: | 460.98 |
| Molecular Formula: | C22 H25 Cl N4 O3 S |
| Smiles: | CC(CC1NS(c2ccccc2N=1)(=O)=O)CC(N1CCN(CC1)c1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8596 |
| logD: | 2.4195 |
| logSw: | -3.5683 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.277 |
| InChI Key: | UIDBYBVBKCZRSC-MRXNPFEDSA-N |