4-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
4-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
4-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V006-1740 |
| Compound Name: | 4-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 537.57 |
| Molecular Formula: | C27 H27 F4 N O4 S |
| Smiles: | CC(C)(C)CC(N(Cc1ccc(cc1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)Cc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2174 |
| logD: | 6.2174 |
| logSw: | -5.7102 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.684 |
| InChI Key: | KVXKXYDJSZRZEP-UHFFFAOYSA-N |