N-{1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}-2,1,3-benzothiadiazole-4-sulfonamide
Chemical Structure Depiction of
N-{1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}-2,1,3-benzothiadiazole-4-sulfonamide
N-{1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}-2,1,3-benzothiadiazole-4-sulfonamide
Compound characteristics
| Compound ID: | C481-0689 |
| Compound Name: | N-{1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}-2,1,3-benzothiadiazole-4-sulfonamide |
| Molecular Weight: | 535.69 |
| Molecular Formula: | C27 H29 N5 O3 S2 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(C(Cc1ccccc1)NS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8118 |
| logD: | 4.7993 |
| logSw: | -4.6241 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.401 |
| InChI Key: | RVUNEFDEGPLLRW-QHCPKHFHSA-N |