N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
Compound characteristics
| Compound ID: | E920-0230 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide |
| Molecular Weight: | 353.46 |
| Molecular Formula: | C21 H27 N3 O2 |
| Smiles: | C1CCc2c(C(NCCCN3CCc4ccccc4C3)=O)noc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.1751 |
| logD: | 2.0252 |
| logSw: | -3.1705 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.869 |
| InChI Key: | PJLANIPROFVTQN-UHFFFAOYSA-N |