3-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
3-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | K261-0487 |
| Compound Name: | 3-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C22 H26 N4 O3 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CCC1NS(c2ccccc2N=1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4305 |
| logD: | 2.4305 |
| logSw: | -2.8606 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.976 |
| InChI Key: | WVVIOBTZEAJUFM-UHFFFAOYSA-N |