3-({3-fluoro-N-[(furan-2-yl)methyl]benzamido}methyl)phenyl propane-2-sulfonate
Chemical Structure Depiction of
3-({3-fluoro-N-[(furan-2-yl)methyl]benzamido}methyl)phenyl propane-2-sulfonate
3-({3-fluoro-N-[(furan-2-yl)methyl]benzamido}methyl)phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V026-5769 |
| Compound Name: | 3-({3-fluoro-N-[(furan-2-yl)methyl]benzamido}methyl)phenyl propane-2-sulfonate |
| Molecular Weight: | 431.48 |
| Molecular Formula: | C22 H22 F N O5 S |
| Smiles: | CC(C)S(=O)(=O)Oc1cccc(CN(Cc2ccco2)C(c2cccc(c2)F)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.7354 |
| logD: | 3.7354 |
| logSw: | -4.0102 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.96 |
| InChI Key: | WTAMHIKYRVPYJC-UHFFFAOYSA-N |