7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)azepan-2-one
Chemical Structure Depiction of
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)azepan-2-one
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)azepan-2-one
Compound characteristics
| Compound ID: | S515-0039 |
| Compound Name: | 7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)azepan-2-one |
| Molecular Weight: | 272.34 |
| Molecular Formula: | C16 H20 N2 O2 |
| Smiles: | C1CCC(NC(C1)C(N1CCc2ccccc2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.434 |
| logD: | 1.434 |
| logSw: | -2.1607 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.526 |
| InChI Key: | PGIMTNLATRQDKQ-AWEZNQCLSA-N |