3-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
3-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-2502 |
| Compound Name: | 3-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 489.56 |
| Molecular Formula: | C25 H28 F N O6 S |
| Smiles: | CC(C)(C)CC(N(Cc1cccc(c1)OS(c1ccc(c(c1)F)OC)(=O)=O)Cc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0348 |
| logD: | 5.0348 |
| logSw: | -4.9272 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.063 |
| InChI Key: | AFFACAXWGDNKPX-UHFFFAOYSA-N |