2-(2,1,3-benzothiadiazole-4-sulfonyl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(2,1,3-benzothiadiazole-4-sulfonyl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethan-1-one
2-(2,1,3-benzothiadiazole-4-sulfonyl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | G845-0061 |
| Compound Name: | 2-(2,1,3-benzothiadiazole-4-sulfonyl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 430.55 |
| Molecular Formula: | C20 H22 N4 O3 S2 |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(CS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1403 |
| logD: | 3.1402 |
| logSw: | -3.2044 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.827 |
| InChI Key: | BKDHIUAFFFDBTM-HNNXBMFYSA-N |