N-{1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}-2,1,3-benzothiadiazole-4-sulfonamide
Chemical Structure Depiction of
N-{1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}-2,1,3-benzothiadiazole-4-sulfonamide
N-{1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}-2,1,3-benzothiadiazole-4-sulfonamide
Compound characteristics
| Compound ID: | C481-0766 |
| Compound Name: | N-{1-[3-methyl-4-(3-methylphenyl)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: | CC1CN(CCN1c1cccc(C)c1)C(C(Cc1ccccc1)NS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5142 |
| logD: | 4.5016 |
| logSw: | -4.3039 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.92 |
| InChI Key: | JOONLPKNEQUABH-UHFFFAOYSA-N |