4-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
4-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
4-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V006-3644 |
| Compound Name: | 4-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 588.58 |
| Molecular Formula: | C29 H24 F4 N2 O5 S |
| Smiles: | COc1ccccc1NC(N(Cc1ccc(cc1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)Cc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2564 |
| logD: | 6.2564 |
| logSw: | -5.654 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.693 |
| InChI Key: | QBBMZGHANANRBL-UHFFFAOYSA-N |