3-{4-[4-(diphenylmethyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-{4-[4-(diphenylmethyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
3-{4-[4-(diphenylmethyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | K261-0725 |
| Compound Name: | 3-{4-[4-(diphenylmethyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione |
| Molecular Weight: | 530.69 |
| Molecular Formula: | C30 H34 N4 O3 S |
| Smiles: | CC(C)(CC1NS(c2ccccc2N=1)(=O)=O)CC(N1CCN(CC1)C(c1ccccc1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.967 |
| logD: | 3.3926 |
| logSw: | -4.0187 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.578 |
| InChI Key: | AEYLPKFIUOFPIF-UHFFFAOYSA-N |