3-{[3,4,5-trimethoxy-N-(2-methylpropyl)benzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[3,4,5-trimethoxy-N-(2-methylpropyl)benzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[3,4,5-trimethoxy-N-(2-methylpropyl)benzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V001-2461 |
| Compound Name: | 3-{[3,4,5-trimethoxy-N-(2-methylpropyl)benzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 531.6 |
| Molecular Formula: | C27 H30 F N O7 S |
| Smiles: | CC(C)CN(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)C(c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6465 |
| logD: | 4.6465 |
| logSw: | -4.5801 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.189 |
| InChI Key: | XHLIZUJFAOGHEH-UHFFFAOYSA-N |