1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-dimethylbenzene-1-sulfonyl)piperazine
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-dimethylbenzene-1-sulfonyl)piperazine
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-dimethylbenzene-1-sulfonyl)piperazine
Compound characteristics
Compound ID: | 7065-0121 |
Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-dimethylbenzene-1-sulfonyl)piperazine |
Molecular Weight: | 388.48 |
Molecular Formula: | C20 H24 N2 O4 S |
Smiles: | Cc1ccc(cc1C)S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.5859 |
logD: | 3.4907 |
logSw: | -3.6363 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 52.605 |
InChI Key: | YSVPZMVVHTURHK-UHFFFAOYSA-N |