N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
Compound characteristics
| Compound ID: | E475-1176 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide |
| Molecular Weight: | 428.58 |
| Molecular Formula: | C27 H32 N4 O |
| Smiles: | Cc1ccc(cc1)c1nc(C(NCCN2CCc3ccccc3C2)=O)c2CCCCCn12 |
| Stereo: | ACHIRAL |
| logP: | 5.123 |
| logD: | 4.9051 |
| logSw: | -4.6868 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.978 |
| InChI Key: | WBMCHVPNLDXZJI-UHFFFAOYSA-N |