3-(2,1,3-benzothiadiazole-4-sulfonyl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propan-1-one
Chemical Structure Depiction of
3-(2,1,3-benzothiadiazole-4-sulfonyl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propan-1-one
3-(2,1,3-benzothiadiazole-4-sulfonyl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propan-1-one
Compound characteristics
| Compound ID: | C105-0805 |
| Compound Name: | 3-(2,1,3-benzothiadiazole-4-sulfonyl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propan-1-one |
| Molecular Weight: | 444.57 |
| Molecular Formula: | C21 H24 N4 O3 S2 |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(CCS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1909 |
| logD: | 3.1908 |
| logSw: | -3.28 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.827 |
| InChI Key: | JRBBWZOFXSWXEG-INIZCTEOSA-N |