3-{2,2-dimethyl-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-{2,2-dimethyl-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
3-{2,2-dimethyl-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | K261-0446 |
| Compound Name: | 3-{2,2-dimethyl-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutyl}-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C23 H27 N5 O5 S |
| Smiles: | CC(C)(CC1NS(c2ccccc2N=1)(=O)=O)CC(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.389 |
| logD: | 1.8147 |
| logSw: | -2.7654 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.659 |
| InChI Key: | XUPNYNKDCHUXQH-UHFFFAOYSA-N |