1-(azepan-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one
1-(azepan-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y032-3109 |
| Compound Name: | 1-(azepan-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one |
| Molecular Weight: | 274.32 |
| Molecular Formula: | C15 H18 N2 O3 |
| Smiles: | C1CCCN(CC1)C(/C=C/c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9952 |
| logD: | 2.9951 |
| logSw: | -3.394 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.771 |
| InChI Key: | STQXZZDJDBICBC-UHFFFAOYSA-N |