3-{[(furan-2-carbonyl)(propan-2-yl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[(furan-2-carbonyl)(propan-2-yl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[(furan-2-carbonyl)(propan-2-yl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V012-1020 |
| Compound Name: | 3-{[(furan-2-carbonyl)(propan-2-yl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 417.45 |
| Molecular Formula: | C21 H20 F N O5 S |
| Smiles: | CC(C)N(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)C(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8507 |
| logD: | 3.8507 |
| logSw: | -3.978 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.533 |
| InChI Key: | ABTJNNQQWWSQRF-UHFFFAOYSA-N |