1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-[4-(pyrrolidine-1-sulfonyl)-1H-imidazol-1-yl]ethan-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-[4-(pyrrolidine-1-sulfonyl)-1H-imidazol-1-yl]ethan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-[4-(pyrrolidine-1-sulfonyl)-1H-imidazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | G271-0163 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-[4-(pyrrolidine-1-sulfonyl)-1H-imidazol-1-yl]ethan-1-one |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C21 H27 N5 O5 S |
| Smiles: | C1CCN(C1)S(c1cn(CC(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)cn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5752 |
| logD: | 0.3836 |
| logSw: | -2.1564 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.202 |
| InChI Key: | YREPIGKMNRGGJU-UHFFFAOYSA-N |