3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-N-(4-ethoxyphenyl)-4-fluorobenzamide
Chemical Structure Depiction of
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-N-(4-ethoxyphenyl)-4-fluorobenzamide
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-N-(4-ethoxyphenyl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | K781-7026 |
| Compound Name: | 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-N-(4-ethoxyphenyl)-4-fluorobenzamide |
| Molecular Weight: | 541.6 |
| Molecular Formula: | C27 H28 F N3 O6 S |
| Smiles: | CCOc1ccc(cc1)NC(c1ccc(c(c1)S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9667 |
| logD: | 3.8659 |
| logSw: | -3.9694 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.82 |
| InChI Key: | WVXDNUBTBMNISR-UHFFFAOYSA-N |