4-chloro-2-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
4-chloro-2-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-7603 |
| Compound Name: | 4-chloro-2-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 573.01 |
| Molecular Formula: | C28 H23 Cl F2 N2 O5 S |
| Smiles: | COc1ccccc1NC(N(Cc1ccc(cc1)F)Cc1cc(ccc1OS(c1ccc(cc1)F)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.4064 |
| logD: | 6.4064 |
| logSw: | -6.2005 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.78 |
| InChI Key: | CAQQEFUJFWRIKR-UHFFFAOYSA-N |