rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~1~-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-N~6~-methyl-5-azaspiro[2.4]heptane-1,6-dicarboxamide
Chemical Structure Depiction of
rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~1~-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-N~6~-methyl-5-azaspiro[2.4]heptane-1,6-dicarboxamide
rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~1~-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-N~6~-methyl-5-azaspiro[2.4]heptane-1,6-dicarboxamide
Compound characteristics
| Compound ID: | SC65-0895 |
| Compound Name: | rel-(1R,3S,6R)-5-(benzenesulfonyl)-N~1~-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-N~6~-methyl-5-azaspiro[2.4]heptane-1,6-dicarboxamide |
| Molecular Weight: | 496.63 |
| Molecular Formula: | C26 H32 N4 O4 S |
| Smiles: | [H][C@@]1(C[C@@]12C[C@@H](C(NC)=O)N(C2)S(c1ccccc1)(=O)=O)C(NCCN1CCc2ccccc2C1)=O |
| Stereo: | RELATIVE |
| logP: | 1.453 |
| logD: | 0.9605 |
| logSw: | -2.442 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.706 |
| InChI Key: | NAANEYIEVSDTBI-FXSPECFOSA-N |