2-{[(furan-2-carbonyl)(2-methylpropyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[(furan-2-carbonyl)(2-methylpropyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
2-{[(furan-2-carbonyl)(2-methylpropyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V016-4001 |
| Compound Name: | 2-{[(furan-2-carbonyl)(2-methylpropyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 431.48 |
| Molecular Formula: | C22 H22 F N O5 S |
| Smiles: | CC(C)CN(Cc1ccccc1OS(c1ccc(cc1)F)(=O)=O)C(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5439 |
| logD: | 4.5439 |
| logSw: | -4.3736 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.876 |
| InChI Key: | JETCIEHOPFXILN-UHFFFAOYSA-N |