3-{[N-(2-methylpropyl)-3-nitrobenzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(2-methylpropyl)-3-nitrobenzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[N-(2-methylpropyl)-3-nitrobenzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V003-2023 |
| Compound Name: | 3-{[N-(2-methylpropyl)-3-nitrobenzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 486.52 |
| Molecular Formula: | C24 H23 F N2 O6 S |
| Smiles: | CC(C)CN(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7932 |
| logD: | 4.7932 |
| logSw: | -4.6884 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.592 |
| InChI Key: | YMYHMGKLZRMVFM-UHFFFAOYSA-N |