4-({N-[(4-fluorophenyl)methyl](propan-2-yl)carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
4-({N-[(4-fluorophenyl)methyl](propan-2-yl)carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
4-({N-[(4-fluorophenyl)methyl](propan-2-yl)carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V006-4089 |
| Compound Name: | 4-({N-[(4-fluorophenyl)methyl](propan-2-yl)carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 524.53 |
| Molecular Formula: | C25 H24 F4 N2 O4 S |
| Smiles: | CC(C)NC(N(Cc1ccc(cc1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)Cc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3257 |
| logD: | 5.3257 |
| logSw: | -5.4857 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.328 |
| InChI Key: | GDOWOWPZXQAGQY-UHFFFAOYSA-N |