4-({N-[(4-fluorophenyl)methyl]-2,2-dimethylpropanamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({N-[(4-fluorophenyl)methyl]-2,2-dimethylpropanamido}methyl)phenyl ethanesulfonate
4-({N-[(4-fluorophenyl)methyl]-2,2-dimethylpropanamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V007-0716 |
| Compound Name: | 4-({N-[(4-fluorophenyl)methyl]-2,2-dimethylpropanamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 407.5 |
| Molecular Formula: | C21 H26 F N O4 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(Cc2ccc(cc2)F)C(C(C)(C)C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7415 |
| logD: | 3.7415 |
| logSw: | -3.8369 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.558 |
| InChI Key: | MYHCJCKXLKBKRQ-UHFFFAOYSA-N |