1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-dimethoxybenzene-1-sulfonyl)piperazine--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-dimethoxybenzene-1-sulfonyl)piperazine--hydrogen chloride (1/1)
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-dimethoxybenzene-1-sulfonyl)piperazine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | C206-0469 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3,4-dimethoxybenzene-1-sulfonyl)piperazine--hydrogen chloride (1/1) |
| Molecular Weight: | 456.94 |
| Molecular Formula: | C20 H24 N2 O6 S |
| Salt: | HCl |
| Smiles: | COc1ccc(cc1OC)S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1671 |
| logD: | 2.072 |
| logSw: | -2.6701 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.866 |
| InChI Key: | VCXFUNANQCIFOE-UHFFFAOYSA-N |