3-{4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-{4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
3-{4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | K261-0414 |
| Compound Name: | 3-{4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione |
| Molecular Weight: | 440.56 |
| Molecular Formula: | C23 H28 N4 O3 S |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(CCCC1NS(c2ccccc2N=1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6354 |
| logD: | 2.3095 |
| logSw: | -3.1299 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.976 |
| InChI Key: | OVFOWKJXNFKTHP-UHFFFAOYSA-N |