{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(5-bromothiophene-2-sulfonyl)piperidin-3-yl]methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(5-bromothiophene-2-sulfonyl)piperidin-3-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(5-bromothiophene-2-sulfonyl)piperidin-3-yl]methanone
Compound characteristics
| Compound ID: | C274-2953 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(5-bromothiophene-2-sulfonyl)piperidin-3-yl]methanone |
| Molecular Weight: | 556.5 |
| Molecular Formula: | C22 H26 Br N3 O5 S2 |
| Smiles: | C1CC(CN(C1)S(c1ccc(s1)[Br])(=O)=O)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9267 |
| logD: | 2.4584 |
| logSw: | -3.1975 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.205 |
| InChI Key: | KAAHVWGMCXLZKK-KRWDZBQOSA-N |