3-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
3-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-9321 |
| Compound Name: | 3-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 538.57 |
| Molecular Formula: | C28 H24 F2 N2 O5 S |
| Smiles: | COc1ccccc1NC(N(Cc1ccc(cc1)F)Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6462 |
| logD: | 5.6462 |
| logSw: | -5.4468 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.693 |
| InChI Key: | ZNRFZWPWABZKQQ-UHFFFAOYSA-N |