4-{[N-(butan-2-yl)-3-phenylpropanamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-{[N-(butan-2-yl)-3-phenylpropanamido]methyl}phenyl ethanesulfonate
4-{[N-(butan-2-yl)-3-phenylpropanamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V028-5183 |
| Compound Name: | 4-{[N-(butan-2-yl)-3-phenylpropanamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 403.54 |
| Molecular Formula: | C22 H29 N O4 S |
| Smiles: | CCC(C)N(Cc1ccc(cc1)OS(CC)(=O)=O)C(CCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2466 |
| logD: | 4.2466 |
| logSw: | -4.1864 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.359 |
| InChI Key: | RGUOOVDYHQAOQW-SFHVURJKSA-N |