4-(3-bromo-4,5-diethoxyphenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
Chemical Structure Depiction of
4-(3-bromo-4,5-diethoxyphenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
4-(3-bromo-4,5-diethoxyphenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
Compound characteristics
| Compound ID: | K836-0448 |
| Compound Name: | 4-(3-bromo-4,5-diethoxyphenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one |
| Molecular Weight: | 545.52 |
| Molecular Formula: | C28 H37 Br N2 O4 |
| Smiles: | CCOc1cc(cc(c1OCC)[Br])C1C(=C(C)NC2CC(C)(C)CC(C1=2)=O)C(N1CCCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0888 |
| logD: | 1.5813 |
| logSw: | -4.7983 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.077 |
| InChI Key: | NNTNZMHYXHBDQA-DEOSSOPVSA-N |