1-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]ethan-1-one
1-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | K940-0136 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 467.34 |
| Molecular Formula: | C19 H19 Br N2 O5 S |
| Smiles: | C1CN(CCN1CC(c1ccc2c(c1)OCO2)=O)S(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1847 |
| logD: | 3.1847 |
| logSw: | -3.4615 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.852 |
| InChI Key: | UKBMELGAUXRYDD-UHFFFAOYSA-N |