N-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Chemical Structure Depiction of
N-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
N-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Compound characteristics
| Compound ID: | G217-0233 |
| Compound Name: | N-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C27 H27 N3 O2 |
| Smiles: | C1CCN(C(Nc2ccc(cc2)C(N2CCc3ccccc3C2)=O)=O)c2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 5.147 |
| logD: | 5.1469 |
| logSw: | -5.3347 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.013 |
| InChI Key: | XQSKCPYAWJPJBX-UHFFFAOYSA-N |