rel-(1R,3S,6R)-1-[4-(4-chlorophenyl)piperazine-1-carbonyl]-N-methyl-5-(2-methylpropyl)-5-azaspiro[2.4]heptane-6-carboxamide
Chemical Structure Depiction of
rel-(1R,3S,6R)-1-[4-(4-chlorophenyl)piperazine-1-carbonyl]-N-methyl-5-(2-methylpropyl)-5-azaspiro[2.4]heptane-6-carboxamide
rel-(1R,3S,6R)-1-[4-(4-chlorophenyl)piperazine-1-carbonyl]-N-methyl-5-(2-methylpropyl)-5-azaspiro[2.4]heptane-6-carboxamide
Compound characteristics
| Compound ID: | SC65-0469 |
| Compound Name: | rel-(1R,3S,6R)-1-[4-(4-chlorophenyl)piperazine-1-carbonyl]-N-methyl-5-(2-methylpropyl)-5-azaspiro[2.4]heptane-6-carboxamide |
| Molecular Weight: | 432.99 |
| Molecular Formula: | C23 H33 Cl N4 O2 |
| Smiles: | [H][C@@]1(C[C@@]12C[C@@H](C(NC)=O)N(CC(C)C)C2)C(N1CCN(CC1)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5036 |
| logD: | 0.9637 |
| logSw: | -3.3221 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.397 |
| InChI Key: | XFSDWAMYKFZACW-VIZSFHNOSA-N |