2,7,7-trimethyl-4-(4-methyl-3-nitrophenyl)-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
Chemical Structure Depiction of
2,7,7-trimethyl-4-(4-methyl-3-nitrophenyl)-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
2,7,7-trimethyl-4-(4-methyl-3-nitrophenyl)-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
Compound characteristics
| Compound ID: | K836-0043 |
| Compound Name: | 2,7,7-trimethyl-4-(4-methyl-3-nitrophenyl)-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C25 H31 N3 O4 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(C)c(c1)[N+]([O-])=O)C(N1CCCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1785 |
| logD: | 0.671 |
| logSw: | -4.3902 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.65 |
| InChI Key: | YKLSTHRBRPEELH-QFIPXVFZSA-N |