rel-(1R,3S,6R)-N~1~-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-N~6~-methyl-5-(2-methylpropyl)-5-azaspiro[2.4]heptane-1,6-dicarboxamide
Chemical Structure Depiction of
rel-(1R,3S,6R)-N~1~-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-N~6~-methyl-5-(2-methylpropyl)-5-azaspiro[2.4]heptane-1,6-dicarboxamide
rel-(1R,3S,6R)-N~1~-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-N~6~-methyl-5-(2-methylpropyl)-5-azaspiro[2.4]heptane-1,6-dicarboxamide
Compound characteristics
| Compound ID: | SC65-0427 |
| Compound Name: | rel-(1R,3S,6R)-N~1~-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-N~6~-methyl-5-(2-methylpropyl)-5-azaspiro[2.4]heptane-1,6-dicarboxamide |
| Molecular Weight: | 426.6 |
| Molecular Formula: | C25 H38 N4 O2 |
| Smiles: | [H][C@@]1(C[C@@]12C[C@@H](C(NC)=O)N(CC(C)C)C2)C(NCCCN1CCc2ccccc2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8141 |
| logD: | 0.3595 |
| logSw: | -2.1772 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.388 |
| InChI Key: | YITMDCRGEWTUOQ-HWBMXIPRSA-N |