N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-[(3-methoxyphenyl)methyl]-7-oxoazepane-2-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-[(3-methoxyphenyl)methyl]-7-oxoazepane-2-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-[(3-methoxyphenyl)methyl]-7-oxoazepane-2-carboxamide
Compound characteristics
| Compound ID: | S513-0532 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-[(3-methoxyphenyl)methyl]-7-oxoazepane-2-carboxamide |
| Molecular Weight: | 449.59 |
| Molecular Formula: | C27 H35 N3 O3 |
| Smiles: | COc1cccc(CN2C(CCCCC2=O)C(NCCCN2CCc3ccccc3C2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2384 |
| logD: | 2.0344 |
| logSw: | -3.3593 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.422 |
| InChI Key: | VRFBBNMPHARJLU-VWLOTQADSA-N |