N-[4-(2-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Chemical Structure Depiction of
N-[4-(2-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
N-[4-(2-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Compound characteristics
| Compound ID: | G217-1165 |
| Compound Name: | N-[4-(2-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide |
| Molecular Weight: | 496.65 |
| Molecular Formula: | C31 H36 N4 O2 |
| Smiles: | C1CCN(C(Nc2ccc(CC(NCCCN3CCc4ccccc4C3)=O)cc2)=O)c2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 4.841 |
| logD: | 3.637 |
| logSw: | -4.5974 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.389 |
| InChI Key: | BDUKMJOIHDCHMS-UHFFFAOYSA-N |