5-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
5-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
5-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V006-7397 |
| Compound Name: | 5-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 489.56 |
| Molecular Formula: | C25 H28 F N O6 S |
| Smiles: | CC(C)(C)CC(N(Cc1ccc(c(c1)OS(c1ccc(cc1)F)(=O)=O)OC)Cc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8034 |
| logD: | 4.8034 |
| logSw: | -4.7851 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.149 |
| InChI Key: | PCFUXHMKNIDJAO-UHFFFAOYSA-N |