3-(4-chlorophenyl)-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
Chemical Structure Depiction of
3-(4-chlorophenyl)-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
3-(4-chlorophenyl)-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
Compound characteristics
| Compound ID: | E711-0098 |
| Compound Name: | 3-(4-chlorophenyl)-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide |
| Molecular Weight: | 463.02 |
| Molecular Formula: | C27 H31 Cl N4 O |
| Smiles: | C1CCc2c(C(NCCCN3CCc4ccccc4C3)=O)nc(c3ccc(cc3)[Cl])n2CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.4176 |
| logD: | 4.2677 |
| logSw: | -6.0402 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.978 |
| InChI Key: | MEDGILIJWCPCID-UHFFFAOYSA-N |