3-{[(2-methoxyphenyl)-N-(2-methylpropyl)carbamamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-{[(2-methoxyphenyl)-N-(2-methylpropyl)carbamamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
3-{[(2-methoxyphenyl)-N-(2-methylpropyl)carbamamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-2511 |
| Compound Name: | 3-{[(2-methoxyphenyl)-N-(2-methylpropyl)carbamamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 516.59 |
| Molecular Formula: | C26 H29 F N2 O6 S |
| Smiles: | CC(C)CN(Cc1cccc(c1)OS(c1ccc(c(c1)F)OC)(=O)=O)C(Nc1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4048 |
| logD: | 5.4048 |
| logSw: | -5.3762 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.595 |
| InChI Key: | JMZUYUGPPGCZCV-UHFFFAOYSA-N |