5-({(2-fluorophenyl)-N-[(furan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
5-({(2-fluorophenyl)-N-[(furan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
5-({(2-fluorophenyl)-N-[(furan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V012-0959 |
| Compound Name: | 5-({(2-fluorophenyl)-N-[(furan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 528.53 |
| Molecular Formula: | C26 H22 F2 N2 O6 S |
| Smiles: | COc1ccc(CN(Cc2ccco2)C(Nc2ccccc2F)=O)cc1OS(c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8694 |
| logD: | 4.8694 |
| logSw: | -4.6205 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.528 |
| InChI Key: | KEEQFYKKNUVXFB-UHFFFAOYSA-N |