3-{[4-pentyl-N-(propan-2-yl)benzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[4-pentyl-N-(propan-2-yl)benzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[4-pentyl-N-(propan-2-yl)benzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V005-4047 |
| Compound Name: | 3-{[4-pentyl-N-(propan-2-yl)benzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 497.63 |
| Molecular Formula: | C28 H32 F N O4 S |
| Smiles: | CCCCCc1ccc(cc1)C(N(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 7.163 |
| logD: | 7.163 |
| logSw: | -5.5632 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.955 |
| InChI Key: | PIWUWMLCNRLKCH-UHFFFAOYSA-N |