4-{[3-(4-nitrophenyl)-N-(propan-2-yl)prop-2-enamido]methyl}phenyl methanesulfonate
Chemical Structure Depiction of
4-{[3-(4-nitrophenyl)-N-(propan-2-yl)prop-2-enamido]methyl}phenyl methanesulfonate
4-{[3-(4-nitrophenyl)-N-(propan-2-yl)prop-2-enamido]methyl}phenyl methanesulfonate
Compound characteristics
| Compound ID: | V011-8949 |
| Compound Name: | 4-{[3-(4-nitrophenyl)-N-(propan-2-yl)prop-2-enamido]methyl}phenyl methanesulfonate |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C20 H22 N2 O6 S |
| Smiles: | CC(C)N(Cc1ccc(cc1)OS(C)(=O)=O)C(/C=C/c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3851 |
| logD: | 3.3851 |
| logSw: | -3.7572 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.196 |
| InChI Key: | OAWPWHIXJSVECI-UHFFFAOYSA-N |