rel-(1R,3S,6R)-N~1~-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N~1~,N~6~-dimethyl-5-(2-methylpropyl)-5-azaspiro[2.4]heptane-1,6-dicarboxamide
Chemical Structure Depiction of
rel-(1R,3S,6R)-N~1~-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N~1~,N~6~-dimethyl-5-(2-methylpropyl)-5-azaspiro[2.4]heptane-1,6-dicarboxamide
rel-(1R,3S,6R)-N~1~-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N~1~,N~6~-dimethyl-5-(2-methylpropyl)-5-azaspiro[2.4]heptane-1,6-dicarboxamide
Compound characteristics
| Compound ID: | SC65-0403 |
| Compound Name: | rel-(1R,3S,6R)-N~1~-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N~1~,N~6~-dimethyl-5-(2-methylpropyl)-5-azaspiro[2.4]heptane-1,6-dicarboxamide |
| Molecular Weight: | 389.54 |
| Molecular Formula: | C21 H35 N5 O2 |
| Smiles: | [H][C@@]1(C[C@@]12C[C@@H](C(NC)=O)N(CC(C)C)C2)C(N(C)Cc1cn(CC)nc1C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6271 |
| logD: | -0.9129 |
| logSw: | -1.0811 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.494 |
| InChI Key: | ZIBDBVCQMCCOLB-WFXMLNOXSA-N |