{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[5-(4-methylbenzene-1-sulfonyl)thiophen-2-yl]methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[5-(4-methylbenzene-1-sulfonyl)thiophen-2-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[5-(4-methylbenzene-1-sulfonyl)thiophen-2-yl]methanone
Compound characteristics
| Compound ID: | L796-0551 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[5-(4-methylbenzene-1-sulfonyl)thiophen-2-yl]methanone |
| Molecular Weight: | 484.59 |
| Molecular Formula: | C24 H24 N2 O5 S2 |
| Smiles: | Cc1ccc(cc1)S(c1ccc(C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9637 |
| logD: | 3.779 |
| logSw: | -3.913 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.062 |
| InChI Key: | GARFBOVOHGKQEB-UHFFFAOYSA-N |