3-{[2-fluoro-N-(2-methylpropyl)benzamido]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
3-{[2-fluoro-N-(2-methylpropyl)benzamido]methyl}phenyl propane-2-sulfonate
3-{[2-fluoro-N-(2-methylpropyl)benzamido]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V011-2434 |
| Compound Name: | 3-{[2-fluoro-N-(2-methylpropyl)benzamido]methyl}phenyl propane-2-sulfonate |
| Molecular Weight: | 407.5 |
| Molecular Formula: | C21 H26 F N O4 S |
| Smiles: | CC(C)CN(Cc1cccc(c1)OS(C(C)C)(=O)=O)C(c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1633 |
| logD: | 4.1633 |
| logSw: | -4.2734 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.482 |
| InChI Key: | ODULJYKCWCLPCY-UHFFFAOYSA-N |