7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-[(3-methoxyphenyl)methyl]azepan-2-one
Chemical Structure Depiction of
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-[(3-methoxyphenyl)methyl]azepan-2-one
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-[(3-methoxyphenyl)methyl]azepan-2-one
Compound characteristics
| Compound ID: | S513-0452 |
| Compound Name: | 7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-[(3-methoxyphenyl)methyl]azepan-2-one |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C24 H28 N2 O3 |
| Smiles: | COc1cccc(CN2C(CCCCC2=O)C(N2CCc3ccccc3C2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3652 |
| logD: | 3.3652 |
| logSw: | -3.5369 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.833 |
| InChI Key: | OROFLVFQYBNQNQ-QFIPXVFZSA-N |