7-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)azepan-2-one
Chemical Structure Depiction of
7-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)azepan-2-one
7-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)azepan-2-one
Compound characteristics
| Compound ID: | S515-0076 |
| Compound Name: | 7-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)azepan-2-one |
| Molecular Weight: | 298.38 |
| Molecular Formula: | C18 H22 N2 O2 |
| Smiles: | C1CCC(NC(C1)C(N1CCC(=CC1)c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0689 |
| logD: | 2.0689 |
| logSw: | -2.4226 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.593 |
| InChI Key: | YDQPULIGDVILKF-INIZCTEOSA-N |