3-methylbutyl 4-[3-(3-nitrophenyl)prop-2-enamido]benzoate
Chemical Structure Depiction of
3-methylbutyl 4-[3-(3-nitrophenyl)prop-2-enamido]benzoate
3-methylbutyl 4-[3-(3-nitrophenyl)prop-2-enamido]benzoate
Compound characteristics
| Compound ID: | 2279-3144 |
| Compound Name: | 3-methylbutyl 4-[3-(3-nitrophenyl)prop-2-enamido]benzoate |
| Molecular Weight: | 382.41 |
| Molecular Formula: | C21 H22 N2 O5 |
| Smiles: | CC(C)CCOC(c1ccc(cc1)NC(/C=C/c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.47 |
| logD: | 5.4699 |
| logSw: | -5.4453 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.546 |
| InChI Key: | SNXOKKUAWLFRCK-IZZDOVSWSA-N |