rel-(1R,3S,6R)-N~1~-ethyl-N~6~-methyl-5-(2-methylpropyl)-N~1~-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]-5-azaspiro[2.4]heptane-1,6-dicarboxamide
Chemical Structure Depiction of
rel-(1R,3S,6R)-N~1~-ethyl-N~6~-methyl-5-(2-methylpropyl)-N~1~-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]-5-azaspiro[2.4]heptane-1,6-dicarboxamide
rel-(1R,3S,6R)-N~1~-ethyl-N~6~-methyl-5-(2-methylpropyl)-N~1~-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]-5-azaspiro[2.4]heptane-1,6-dicarboxamide
Compound characteristics
| Compound ID: | SC65-0410 |
| Compound Name: | rel-(1R,3S,6R)-N~1~-ethyl-N~6~-methyl-5-(2-methylpropyl)-N~1~-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]-5-azaspiro[2.4]heptane-1,6-dicarboxamide |
| Molecular Weight: | 417.59 |
| Molecular Formula: | C23 H39 N5 O2 |
| Smiles: | [H][C@@]1(C[C@@]12C[C@@H](C(NC)=O)N(CC(C)C)C2)C(N(CC)Cc1cc(C)nn1CCC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4112 |
| logD: | -0.1288 |
| logSw: | -1.8259 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.92 |
| InChI Key: | SIYWTFQPCGNZCB-JTAQYXEDSA-N |