3-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
3-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-2563 |
| Compound Name: | 3-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 462.5 |
| Molecular Formula: | C22 H23 F N2 O6 S |
| Smiles: | CCNC(N(Cc1cccc(c1)OS(c1ccc(c(c1)F)OC)(=O)=O)Cc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5512 |
| logD: | 3.5512 |
| logSw: | -3.8568 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.359 |
| InChI Key: | WHCGQEFQCODUIN-UHFFFAOYSA-N |