1-methyl-7-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)azepan-2-one
Chemical Structure Depiction of
1-methyl-7-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)azepan-2-one
1-methyl-7-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)azepan-2-one
Compound characteristics
| Compound ID: | S513-0076 |
| Compound Name: | 1-methyl-7-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)azepan-2-one |
| Molecular Weight: | 312.41 |
| Molecular Formula: | C19 H24 N2 O2 |
| Smiles: | CN1C(CCCCC1=O)C(N1CCC(=CC1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2836 |
| logD: | 2.2836 |
| logSw: | -2.3637 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.393 |
| InChI Key: | CMKOYDMEVZUZJS-KRWDZBQOSA-N |