4-{[N-(butan-2-yl)-3-phenylprop-2-enamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-{[N-(butan-2-yl)-3-phenylprop-2-enamido]methyl}phenyl ethanesulfonate
4-{[N-(butan-2-yl)-3-phenylprop-2-enamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V016-9664 |
| Compound Name: | 4-{[N-(butan-2-yl)-3-phenylprop-2-enamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 401.52 |
| Molecular Formula: | C22 H27 N O4 S |
| Smiles: | CCC(C)N(Cc1ccc(cc1)OS(CC)(=O)=O)C(/C=C/c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2239 |
| logD: | 4.2239 |
| logSw: | -4.131 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.359 |
| InChI Key: | NLXBDLDHCIQJJY-SFHVURJKSA-N |