5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2-fluoro-N-[4-(propan-2-yl)phenyl]benzamide
Chemical Structure Depiction of
5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2-fluoro-N-[4-(propan-2-yl)phenyl]benzamide
5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2-fluoro-N-[4-(propan-2-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | K781-9636 |
| Compound Name: | 5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2-fluoro-N-[4-(propan-2-yl)phenyl]benzamide |
| Molecular Weight: | 539.63 |
| Molecular Formula: | C28 H30 F N3 O5 S |
| Smiles: | CC(C)c1ccc(cc1)NC(c1cc(ccc1F)S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0624 |
| logD: | 4.9638 |
| logSw: | -4.5763 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.697 |
| InChI Key: | KBFDSBSKGMCEKN-UHFFFAOYSA-N |