{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(5-bromothiophene-2-sulfonyl)piperidin-4-yl]methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(5-bromothiophene-2-sulfonyl)piperidin-4-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(5-bromothiophene-2-sulfonyl)piperidin-4-yl]methanone
Compound characteristics
| Compound ID: | C274-0531 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(5-bromothiophene-2-sulfonyl)piperidin-4-yl]methanone |
| Molecular Weight: | 556.5 |
| Molecular Formula: | C22 H26 Br N3 O5 S2 |
| Smiles: | C1CN(CCC1C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)S(c1ccc(s1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0644 |
| logD: | 2.5961 |
| logSw: | -3.203 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.272 |
| InChI Key: | FDEFUORINWJUBA-UHFFFAOYSA-N |