4-(4-hydroxy-3-nitrophenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
Chemical Structure Depiction of
4-(4-hydroxy-3-nitrophenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
4-(4-hydroxy-3-nitrophenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
Compound characteristics
| Compound ID: | K836-0640 |
| Compound Name: | 4-(4-hydroxy-3-nitrophenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C22 H25 N3 O5 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1ccc(c(c1)[N+]([O-])=O)O)C(N1CCCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0372 |
| logD: | -0.079 |
| logSw: | -3.4502 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.198 |
| InChI Key: | QYPDLTUSLNXUOZ-FQEVSTJZSA-N |