4-{[N-(butan-2-yl)-3-(4-nitrophenyl)prop-2-enamido]methyl}phenyl methanesulfonate
Chemical Structure Depiction of
4-{[N-(butan-2-yl)-3-(4-nitrophenyl)prop-2-enamido]methyl}phenyl methanesulfonate
4-{[N-(butan-2-yl)-3-(4-nitrophenyl)prop-2-enamido]methyl}phenyl methanesulfonate
Compound characteristics
| Compound ID: | V011-3807 |
| Compound Name: | 4-{[N-(butan-2-yl)-3-(4-nitrophenyl)prop-2-enamido]methyl}phenyl methanesulfonate |
| Molecular Weight: | 432.49 |
| Molecular Formula: | C21 H24 N2 O6 S |
| Smiles: | CCC(C)N(Cc1ccc(cc1)OS(C)(=O)=O)C(/C=C/c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8492 |
| logD: | 3.8492 |
| logSw: | -4.0003 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.781 |
| InChI Key: | GNZYGQRTRXXAOA-INIZCTEOSA-N |