5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-fluoro-N-[4-(propan-2-yl)phenyl]benzamide
Chemical Structure Depiction of
5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-fluoro-N-[4-(propan-2-yl)phenyl]benzamide
5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-fluoro-N-[4-(propan-2-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | K781-9782 |
| Compound Name: | 5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-fluoro-N-[4-(propan-2-yl)phenyl]benzamide |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C25 H25 F N2 O3 S |
| Smiles: | CC(C)c1ccc(cc1)NC(c1cc(ccc1F)S(N1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8276 |
| logD: | 5.8241 |
| logSw: | -5.5314 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.702 |
| InChI Key: | OEJMWXSYLOQHKD-UHFFFAOYSA-N |