3-{[2,4-dimethoxy-N-(2-methylpropyl)benzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[2,4-dimethoxy-N-(2-methylpropyl)benzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[2,4-dimethoxy-N-(2-methylpropyl)benzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V003-2059 |
| Compound Name: | 3-{[2,4-dimethoxy-N-(2-methylpropyl)benzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 501.57 |
| Molecular Formula: | C26 H28 F N O6 S |
| Smiles: | CC(C)CN(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)C(c1ccc(cc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0137 |
| logD: | 5.0137 |
| logSw: | -4.7756 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.385 |
| InChI Key: | PMMCTCLOZFDZQB-UHFFFAOYSA-N |