5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-N-(4-bromo-2-fluorophenyl)-2-fluorobenzamide
Chemical Structure Depiction of
5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-N-(4-bromo-2-fluorophenyl)-2-fluorobenzamide
5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-N-(4-bromo-2-fluorophenyl)-2-fluorobenzamide
Compound characteristics
| Compound ID: | K781-7693 |
| Compound Name: | 5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-N-(4-bromo-2-fluorophenyl)-2-fluorobenzamide |
| Molecular Weight: | 594.43 |
| Molecular Formula: | C25 H22 Br F2 N3 O5 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)S(c1ccc(c(c1)C(Nc1ccc(cc1F)[Br])=O)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.603 |
| logD: | 3.119 |
| logSw: | -4.3708 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.999 |
| InChI Key: | BVSVYKUJKZMJFD-UHFFFAOYSA-N |