4-({(butan-2-yl)[(4-fluorophenyl)acetyl]amino}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({(butan-2-yl)[(4-fluorophenyl)acetyl]amino}methyl)phenyl ethanesulfonate
4-({(butan-2-yl)[(4-fluorophenyl)acetyl]amino}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V006-7846 |
| Compound Name: | 4-({(butan-2-yl)[(4-fluorophenyl)acetyl]amino}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 407.5 |
| Molecular Formula: | C21 H26 F N O4 S |
| Smiles: | CCC(C)N(Cc1ccc(cc1)OS(CC)(=O)=O)C(Cc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8421 |
| logD: | 3.8421 |
| logSw: | -3.903 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.359 |
| InChI Key: | DDDYVIDQKJIRJP-INIZCTEOSA-N |