1-benzyl-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-7-oxoazepane-2-carboxamide
Chemical Structure Depiction of
1-benzyl-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-7-oxoazepane-2-carboxamide
1-benzyl-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-7-oxoazepane-2-carboxamide
Compound characteristics
| Compound ID: | S513-0665 |
| Compound Name: | 1-benzyl-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-7-oxoazepane-2-carboxamide |
| Molecular Weight: | 419.57 |
| Molecular Formula: | C26 H33 N3 O2 |
| Smiles: | C1CCC(N(Cc2ccccc2)C(C1)C(NCCCN1CCc2ccccc2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1831 |
| logD: | 1.979 |
| logSw: | -3.1134 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.879 |
| InChI Key: | CWZSDTMTBDGRCL-DEOSSOPVSA-N |