3-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-methyl-4-oxobutyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-methyl-4-oxobutyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
3-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-methyl-4-oxobutyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | F275-0135 |
| Compound Name: | 3-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-methyl-4-oxobutyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione |
| Molecular Weight: | 484.57 |
| Molecular Formula: | C24 H28 N4 O5 S |
| Smiles: | CC(CC1NS(c2ccccc2N=1)(=O)=O)CC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8282 |
| logD: | 1.8282 |
| logSw: | -2.788 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.673 |
| InChI Key: | UTRSORYZWJANTD-QGZVFWFLSA-N |