3-({N-[(furan-2-yl)methyl]heptanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-({N-[(furan-2-yl)methyl]heptanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
3-({N-[(furan-2-yl)methyl]heptanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V003-2013 |
| Compound Name: | 3-({N-[(furan-2-yl)methyl]heptanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 473.56 |
| Molecular Formula: | C25 H28 F N O5 S |
| Smiles: | CCCCCCC(N(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)Cc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6954 |
| logD: | 5.6954 |
| logSw: | -5.2926 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.432 |
| InChI Key: | OTHPNKAUPQVREE-UHFFFAOYSA-N |