rel-(1R,3S,6R)-N~1~-[2-(5-chloro-1H-indol-3-yl)ethyl]-N~6~-methyl-5-(2-methylpropyl)-5-azaspiro[2.4]heptane-1,6-dicarboxamide
Chemical Structure Depiction of
rel-(1R,3S,6R)-N~1~-[2-(5-chloro-1H-indol-3-yl)ethyl]-N~6~-methyl-5-(2-methylpropyl)-5-azaspiro[2.4]heptane-1,6-dicarboxamide
rel-(1R,3S,6R)-N~1~-[2-(5-chloro-1H-indol-3-yl)ethyl]-N~6~-methyl-5-(2-methylpropyl)-5-azaspiro[2.4]heptane-1,6-dicarboxamide
Compound characteristics
| Compound ID: | SC65-0421 |
| Compound Name: | rel-(1R,3S,6R)-N~1~-[2-(5-chloro-1H-indol-3-yl)ethyl]-N~6~-methyl-5-(2-methylpropyl)-5-azaspiro[2.4]heptane-1,6-dicarboxamide |
| Molecular Weight: | 430.98 |
| Molecular Formula: | C23 H31 Cl N4 O2 |
| Smiles: | [H][C@@]1(C[C@@]12C[C@@H](C(NC)=O)N(CC(C)C)C2)C(NCCc1c[nH]c2ccc(cc12)[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5178 |
| logD: | 1.0631 |
| logSw: | -3.4939 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.614 |
| InChI Key: | DUXGSIPSVJJVHE-RFWXGWTQSA-N |