3-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
3-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | K261-0460 |
| Compound Name: | 3-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione |
| Molecular Weight: | 468.62 |
| Molecular Formula: | C25 H32 N4 O3 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CC(C)(C)CC1NS(c2ccccc2N=1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4998 |
| logD: | 2.9254 |
| logSw: | -3.8296 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.976 |
| InChI Key: | KNTSEQGJFCIHDE-UHFFFAOYSA-N |