3-(4-nitrophenyl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)prop-2-en-1-one
Chemical Structure Depiction of
3-(4-nitrophenyl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)prop-2-en-1-one
3-(4-nitrophenyl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y020-4973 |
| Compound Name: | 3-(4-nitrophenyl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)prop-2-en-1-one |
| Molecular Weight: | 348.4 |
| Molecular Formula: | C21 H20 N2 O3 |
| Smiles: | CC1=CC(C)(C)N(C(/C=C/c2ccc(cc2)[N+]([O-])=O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.8327 |
| logD: | 4.8327 |
| logSw: | -4.705 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.178 |
| InChI Key: | QYMYAEKFTXPOQF-UHFFFAOYSA-N |